2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

C17H33N3O2 — CID 69466597

IUPAC2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNCC(CC1CCC(C)(O)CC1)C1CCCCN1C(N)=O
InChIInChI=1S/C17H33N3O2/c1-17(22)8-6-13(7-9-17)11-14(12-19-2)15-5-3-4-10-20(15)16(18)21/h13-15,19,22H,3-12H2,1-2H3,(H2,18,21)
InChIKeyPZBVDBQGSOABFO-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.09
Rot. Bonds5

About 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (PubChem CID 69466597) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
PubChem CID69466597
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNCC(CC1CCC(C)(O)CC1)C1CCCCN1C(N)=O
InChIInChI=1S/C17H33N3O2/c1-17(22)8-6-13(7-9-17)11-14(12-19-2)15-5-3-4-10-20(15)16(18)21/h13-15,19,22H,3-12H2,1-2H3,(H2,18,21)
InChIKeyPZBVDBQGSOABFO-UHFFFAOYSA-N
XLogP2.09
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-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

2-[(2S)-4,4-dimethyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
CID 69468054
2-[(1S)-1-(1-fluorocyclohexyl)-1-iodo-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69471815
2-[(2R,3S)-3-hydroxy-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
CID 143215220
2-[(2S,3R)-1-cyclohexyl-3-(methylamino)butan-2-yl]piperidine-1-carboxamide
CID 69467348
1-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-1-methylurea
CID 140552228
(2S)-2-(dimethoxymethyl)pyrrolidine-1-carboxamide
CID 90936720
1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129371121
2-cyano-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67189818
methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
CID 83881158
[2-[2-(methylamino)ethyl]piperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828027
2-[1-[2-(methylamino)acetyl]piperidin-2-yl]acetamide;hydrochloride
CID 119756579
2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride
CID 119785159

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (CID 69466597) is 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is CNCC(CC1CCC(C)(O)CC1)C1CCCCN1C(N)=O.
What is the InChIKey of 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is PZBVDBQGSOABFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-17(22)8-6-13(7-9-17)11-14(12-19-2)15-5-3-4-10-20(15)16(18)21/h13-15,19,22H,3-12H2,1-2H3,(H2,18,21).
What are the key properties of 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxy-4-methylcyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 69466597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).