cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide

C21H38N2O2 — CID 58166023

IUPACcis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
SMILESCN(CCCN1CCCCC1)C(=O)[C@H]1CCCC[C@H]1C(=O)C(C)(C)C
InChIInChI=1S/C21H38N2O2/c1-21(2,3)19(24)17-11-6-7-12-18(17)20(25)22(4)13-10-16-23-14-8-5-9-15-23/h17-18H,5-16H2,1-4H3/t17-,18+/m1/s1
InChIKeyZHZRLGUWXZAQKI-MSOLQXFVSA-N
MW350.55 g/mol
LogP3.74
Rot. Bonds6

About cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide

cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide (PubChem CID 58166023) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
PubChem CID58166023
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Namecis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
SMILESCN(CCCN1CCCCC1)C(=O)[C@H]1CCCC[C@H]1C(=O)C(C)(C)C
InChIInChI=1S/C21H38N2O2/c1-21(2,3)19(24)17-11-6-7-12-18(17)20(25)22(4)13-10-16-23-14-8-5-9-15-23/h17-18H,5-16H2,1-4H3/t17-,18+/m1/s1
InChIKeyZHZRLGUWXZAQKI-MSOLQXFVSA-N
XLogP3.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

cis-(1R,2S)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
CID 58166026
cis-(1R,2S)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
CID 58165950
cis-(1S,2R)-N-[2-[4-(2-amino-2-oxoethyl)piperazin-1-yl]ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
CID 58165960
N-methyl-6-(methylaminomethyl)-N-(3-piperidin-1-ylpropyl)cyclohex-3-ene-1-carboxamide
CID 59932394
1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 171445163
N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N'-methylcyclohexane-1-carbohydrazide
CID 123439330
(1S,2R,3S,4R)-3-amino-N-[3-(azepan-1-yl)propyl]-N-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide;dihydrochloride
CID 154912377
cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-piperidin-1-ylethyl)cyclohexane-1-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)-methylamino]-N-methylacetamide;(2S)-N-[2-(dimethylamino)ethyl]-N,2,6,6-tetramethyl-5-oxoheptanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,2,6,6-tetramethyl-5-oxoheptanamide;(4R)-N-[2-(dimethylamino)ethyl]-N,4,6,6-tetramethyl-5-oxoheptanamide;(4S)-N-[2-(dimethylamino)ethyl]-N,4,6,6-tetramethyl-5-oxoheptanamide;(3R)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide;(3S)-N-[2-(dimethylamino)ethyl]-N,3,5,5-tetramethyl-4-oxohexanamide;N-[2-(dimethylamino)ethyl]-N,6,6-trimethyl-5-oxoheptanamide;N-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-4-oxohexanamide
CID 158735709
(E)-N-methyl-N-(6-piperidin-1-ylhexyl)but-2-enamide
CID 110459787
cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide;cis-(1R,2S)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide;cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 167621581
(2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
CID 125443618
1-[2-[[methylamino(3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]ethanone
CID 123827594

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide (CID 58166023) is cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide is CN(CCCN1CCCCC1)C(=O)[C@H]1CCCC[C@H]1C(=O)C(C)(C)C.
What is the InChIKey of cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide?
The InChIKey is ZHZRLGUWXZAQKI-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-21(2,3)19(24)17-11-6-7-12-18(17)20(25)22(4)13-10-16-23-14-8-5-9-15-23/h17-18H,5-16H2,1-4H3/t17-,18+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide?
cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide has a molecular weight of 350.55 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(2,2-dimethylpropanoyl)-N-methyl-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 58166023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).