4-(dimethylamino)-4-pyridin-2-ylcyclohexan-1-one;methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate;4-oxo-1-pyridin-2-ylcyclohexane-1-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-amine;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carboxamide

C81H102N12O13 — CID 159867355

IUPAC4-(dimethylamino)-4-pyridin-2-ylcyclohexan-1-one;methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate;4-oxo-1-pyridin-2-ylcyclohexane-1-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-amine;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESCN(C)C1(c2ccccn2)CCC(=O)CC1.COC(=O)NC1(c2ccccn2)CCC2(CC1)OCCO2.N#CC1(c2ccccn2)CCC(=O)CC1.N#CC1(c2ccccn2)CCC2(CC1)OCCO2.NC(=O)C1(c2ccccn2)CCC2(CC1)OCCO2.NC1(c2ccccn2)CCC2(CC1)OCCO2
InChIInChI=1S/C15H20N2O4.C14H18N2O3.C14H16N2O2.C13H18N2O2.C13H18N2O.C12H12N2O/c1-19-13(18)17-14(12-4-2-3-9-16-12)5-7-15(8-6-14)20-10-11-21-15;15-12(17)13(11-3-1-2-8-16-11)4-6-14(7-5-13)18-9-10-19-14;15-11-13(12-3-1-2-8-16-12)4-6-14(7-5-13)17-9-10-18-14;14-12(11-3-1-2-8-15-11)4-6-13(7-5-12)16-9-10-17-13;1-15(2)13(8-6-11(16)7-9-13)12-5-3-4-10-14-12;13-9-12(6-4-10(15)5-7-12)11-3-1-2-8-14-11/h2-4,9H,5-8,10-11H2,1H3,(H,17,18);1-3,8H,4-7,9-10H2,(H2,15,17);1-3,8H,4-7,9-10H2;1-3,8H,4-7,9-10,14H2;3-5,10H,6-9H2,1-2H3;1-3,8H,4-7H2
InChIKeyNRXBCVRFSOXKBZ-UHFFFAOYSA-N
MW1451.78 g/mol
LogP10.75
Rot. Bonds9

About 4-(dimethylamino)-4-pyridin-2-ylcyclohexan-1-one;methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate;4-oxo-1-pyridin-2-ylcyclohexane-1-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-amine;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carboxamide

4-(dimethylamino)-4-pyridin-2-ylcyclohexan-1-one;methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate;4-oxo-1-pyridin-2-ylcyclohexane-1-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-amine;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carboxamide (PubChem CID 159867355) has the molecular formula C81H102N12O13 and a molecular weight of 1451.78 g/mol. Its IUPAC name is 4-(dimethylamino)-4-pyridin-2-ylcyclohexan-1-one;methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate;4-oxo-1-pyridin-2-ylcyclohexane-1-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-amine;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-4-pyridin-2-ylcyclohexan-1-one;methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate;4-oxo-1-pyridin-2-ylcyclohexane-1-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-amine;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carboxamide
PubChem CID159867355
Molecular FormulaC81H102N12O13
Molecular Weight1451.78 g/mol
Exact Mass1450.77
IUPAC Name4-(dimethylamino)-4-pyridin-2-ylcyclohexan-1-one;methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate;4-oxo-1-pyridin-2-ylcyclohexane-1-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-amine;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESCN(C)C1(c2ccccn2)CCC(=O)CC1.COC(=O)NC1(c2ccccn2)CCC2(CC1)OCCO2.N#CC1(c2ccccn2)CCC(=O)CC1.N#CC1(c2ccccn2)CCC2(CC1)OCCO2.NC(=O)C1(c2ccccn2)CCC2(CC1)OCCO2.NC1(c2ccccn2)CCC2(CC1)OCCO2
InChIInChI=1S/C15H20N2O4.C14H18N2O3.C14H16N2O2.C13H18N2O2.C13H18N2O.C12H12N2O/c1-19-13(18)17-14(12-4-2-3-9-16-12)5-7-15(8-6-14)20-10-11-21-15;15-12(17)13(11-3-1-2-8-16-11)4-6-14(7-5-13)18-9-10-19-14;15-11-13(12-3-1-2-8-16-12)4-6-14(7-5-13)17-9-10-18-14;14-12(11-3-1-2-8-15-11)4-6-13(7-5-12)16-9-10-17-13;1-15(2)13(8-6-11(16)7-9-13)12-5-3-4-10-14-12;13-9-12(6-4-10(15)5-7-12)11-3-1-2-8-14-11/h2-4,9H,5-8,10-11H2,1H3,(H,17,18);1-3,8H,4-7,9-10H2,(H2,15,17);1-3,8H,4-7,9-10H2;1-3,8H,4-7,9-10,14H2;3-5,10H,6-9H2,1-2H3;1-3,8H,4-7H2
InChIKeyNRXBCVRFSOXKBZ-UHFFFAOYSA-N
XLogP10.75
TPSA343.58 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds9
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001451.78
LogP ≤ 510.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 4-(dimethylamino)-4-pyridin-2-ylcyclohexan-1-one;methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate;4-oxo-1-pyridin-2-ylcyclohexane-1-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-amine;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate
CID 118666490
methyl N-[3-[[2-(8-amino-3-methyl-1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]methyl]-8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
CID 155431409
4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide
CID 144998145
methyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate
CID 155198395
7-pyridin-2-yl-1,4-dioxonan-7-amine
CID 134570717
2-amino-N-(1-pyridin-2-ylcyclopropyl)propanamide;dihydrochloride
CID 67391715
methyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate
CID 142662167
methyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate
CID 118666317
8-(2-chloro-3-pyridinyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 134431990
tert-butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
CID 53439111
butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
CID 23194322
tert-butyl 3-(methoxycarbonylamino)-3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 22236948

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-pyridin-2-ylcyclohexan-1-one;methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate;4-oxo-1-pyridin-2-ylcyclohexane-1-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-amine;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 4-(dimethylamino)-4-pyridin-2-ylcyclohexan-1-one;methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate;4-oxo-1-pyridin-2-ylcyclohexane-1-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-amine;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carboxamide (CID 159867355) is 4-(dimethylamino)-4-pyridin-2-ylcyclohexan-1-one;methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate;4-oxo-1-pyridin-2-ylcyclohexane-1-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-amine;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-4-pyridin-2-ylcyclohexan-1-one;methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate;4-oxo-1-pyridin-2-ylcyclohexane-1-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-amine;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 4-(dimethylamino)-4-pyridin-2-ylcyclohexan-1-one;methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate;4-oxo-1-pyridin-2-ylcyclohexane-1-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-amine;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carboxamide is CN(C)C1(c2ccccn2)CCC(=O)CC1.COC(=O)NC1(c2ccccn2)CCC2(CC1)OCCO2.N#CC1(c2ccccn2)CCC(=O)CC1.N#CC1(c2ccccn2)CCC2(CC1)OCCO2.NC(=O)C1(c2ccccn2)CCC2(CC1)OCCO2.NC1(c2ccccn2)CCC2(CC1)OCCO2.
What is the InChIKey of 4-(dimethylamino)-4-pyridin-2-ylcyclohexan-1-one;methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate;4-oxo-1-pyridin-2-ylcyclohexane-1-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-amine;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The InChIKey is NRXBCVRFSOXKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4.C14H18N2O3.C14H16N2O2.C13H18N2O2.C13H18N2O.C12H12N2O/c1-19-13(18)17-14(12-4-2-3-9-16-12)5-7-15(8-6-14)20-10-11-21-15;15-12(17)13(11-3-1-2-8-16-11)4-6-14(7-5-13)18-9-10-19-14;15-11-13(12-3-1-2-8-16-12)4-6-14(7-5-13)17-9-10-18-14;14-12(11-3-1-2-8-15-11)4-6-13(7-5-12)16-9-10-17-13;1-15(2)13(8-6-11(16)7-9-13)12-5-3-4-10-14-12;13-9-12(6-4-10(15)5-7-12)11-3-1-2-8-14-11/h2-4,9H,5-8,10-11H2,1H3,(H,17,18);1-3,8H,4-7,9-10H2,(H2,15,17);1-3,8H,4-7,9-10H2;1-3,8H,4-7,9-10,14H2;3-5,10H,6-9H2,1-2H3;1-3,8H,4-7H2.
What are the key properties of 4-(dimethylamino)-4-pyridin-2-ylcyclohexan-1-one;methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate;4-oxo-1-pyridin-2-ylcyclohexane-1-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-amine;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carboxamide?
4-(dimethylamino)-4-pyridin-2-ylcyclohexan-1-one;methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate;4-oxo-1-pyridin-2-ylcyclohexane-1-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-amine;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carboxamide has a molecular weight of 1451.78 g/mol, XLogP of 10.75, 9 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-pyridin-2-ylcyclohexan-1-one;methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate;4-oxo-1-pyridin-2-ylcyclohexane-1-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-amine;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile;8-pyridin-2-yl-1,4-dioxaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 159867355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).