N-[4-[methyl-(2-methyl-2-piperidin-1-ylpropanoyl)amino]cyclohexyl]-1-propan-2-ylcyclopropane-1-carboxamide

C23H41N3O2 — CID 166297281

IUPACN-[4-[methyl-(2-methyl-2-piperidin-1-ylpropanoyl)amino]cyclohexyl]-1-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)C1(C(=O)NC2CCC(N(C)C(=O)C(C)(C)N3CCCCC3)CC2)CC1
InChIInChI=1S/C23H41N3O2/c1-17(2)23(13-14-23)20(27)24-18-9-11-19(12-10-18)25(5)21(28)22(3,4)26-15-7-6-8-16-26/h17-19H,6-16H2,1-5H3,(H,24,27)
InChIKeyKOGLBUNBZASSGL-UHFFFAOYSA-N
MW391.60 g/mol
LogP3.57
Rot. Bonds6

About N-[4-[methyl-(2-methyl-2-piperidin-1-ylpropanoyl)amino]cyclohexyl]-1-propan-2-ylcyclopropane-1-carboxamide

N-[4-[methyl-(2-methyl-2-piperidin-1-ylpropanoyl)amino]cyclohexyl]-1-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 166297281) has the molecular formula C23H41N3O2 and a molecular weight of 391.60 g/mol. Its IUPAC name is N-[4-[methyl-(2-methyl-2-piperidin-1-ylpropanoyl)amino]cyclohexyl]-1-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[methyl-(2-methyl-2-piperidin-1-ylpropanoyl)amino]cyclohexyl]-1-propan-2-ylcyclopropane-1-carboxamide
PubChem CID166297281
Molecular FormulaC23H41N3O2
Molecular Weight391.60 g/mol
Exact Mass391.32
IUPAC NameN-[4-[methyl-(2-methyl-2-piperidin-1-ylpropanoyl)amino]cyclohexyl]-1-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)C1(C(=O)NC2CCC(N(C)C(=O)C(C)(C)N3CCCCC3)CC2)CC1
InChIInChI=1S/C23H41N3O2/c1-17(2)23(13-14-23)20(27)24-18-9-11-19(12-10-18)25(5)21(28)22(3,4)26-15-7-6-8-16-26/h17-19H,6-16H2,1-5H3,(H,24,27)
InChIKeyKOGLBUNBZASSGL-UHFFFAOYSA-N
XLogP3.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.60
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[methyl-(2-methyl-2-piperidin-1-ylpropanoyl)amino]cyclohexyl]-1-propan-2-ylcyclopropane-1-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-1-propan-2-ylcyclopropane-1-carboxamide
CID 130695235
N-cyclopropyl-4-methyl-1-propan-2-ylcyclohexane-1-carboxamide
CID 130472552
N,N,2-trimethyl-2-piperidin-1-ylpropanamide
CID 118311285
1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
CID 119339856
N-(4-carbamoylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979816
3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 106979930
N-(4-methylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981352
N,2-dimethyl-N-(2-methylcyclohexyl)-2-piperazin-1-ylpropanamide
CID 80548878
4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61201100
1-amino-N-(4-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119339847
4-[[cyclooctyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024931
1-amino-N-(1-tert-butylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 65465095

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-(2-methyl-2-piperidin-1-ylpropanoyl)amino]cyclohexyl]-1-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-[methyl-(2-methyl-2-piperidin-1-ylpropanoyl)amino]cyclohexyl]-1-propan-2-ylcyclopropane-1-carboxamide (CID 166297281) is N-[4-[methyl-(2-methyl-2-piperidin-1-ylpropanoyl)amino]cyclohexyl]-1-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[methyl-(2-methyl-2-piperidin-1-ylpropanoyl)amino]cyclohexyl]-1-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[methyl-(2-methyl-2-piperidin-1-ylpropanoyl)amino]cyclohexyl]-1-propan-2-ylcyclopropane-1-carboxamide is CC(C)C1(C(=O)NC2CCC(N(C)C(=O)C(C)(C)N3CCCCC3)CC2)CC1.
What is the InChIKey of N-[4-[methyl-(2-methyl-2-piperidin-1-ylpropanoyl)amino]cyclohexyl]-1-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is KOGLBUNBZASSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O2/c1-17(2)23(13-14-23)20(27)24-18-9-11-19(12-10-18)25(5)21(28)22(3,4)26-15-7-6-8-16-26/h17-19H,6-16H2,1-5H3,(H,24,27).
What are the key properties of N-[4-[methyl-(2-methyl-2-piperidin-1-ylpropanoyl)amino]cyclohexyl]-1-propan-2-ylcyclopropane-1-carboxamide?
N-[4-[methyl-(2-methyl-2-piperidin-1-ylpropanoyl)amino]cyclohexyl]-1-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 391.60 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-(2-methyl-2-piperidin-1-ylpropanoyl)amino]cyclohexyl]-1-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 166297281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).