[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone

C18H32N2O — CID 107181008

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
SMILESCC1(C)CCCCC1C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H32N2O/c1-18(2)10-4-3-5-16(18)17(21)20-11-8-15(9-12-20)19-13-14-6-7-14/h14-16,19H,3-13H2,1-2H3
InChIKeyDVCWYONQSUNQJH-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.19
Rot. Bonds4

About [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone

[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone (PubChem CID 107181008) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
PubChem CID107181008
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
SMILESCC1(C)CCCCC1C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H32N2O/c1-18(2)10-4-3-5-16(18)17(21)20-11-8-15(9-12-20)19-13-14-6-7-14/h14-16,19H,3-13H2,1-2H3
InChIKeyDVCWYONQSUNQJH-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone 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

(2,2-dimethylcyclohexyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107174400
[4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183885
[4-(bromomethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183985
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone
CID 119623579
2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 107175719
cycloheptyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81483591
[4-(cyclopropylmethylamino)piperidin-1-yl]-(thian-2-yl)methanone
CID 115307101
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 119622236
[4-(2-chloroethoxy)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107184260
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911
2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496
(2,2-dimethylcyclopentyl)-(4-hydroxypiperidin-1-yl)methanone
CID 104917952

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone (CID 107181008) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone is CC1(C)CCCCC1C(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone?
The InChIKey is DVCWYONQSUNQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-18(2)10-4-3-5-16(18)17(21)20-11-8-15(9-12-20)19-13-14-6-7-14/h14-16,19H,3-13H2,1-2H3.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone has a molecular weight of 292.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone is sourced from PubChem (CID 107181008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).