(3S,5R)-N-cyclohexyl-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide

C18H33N3O2 — CID 72839775

IUPAC(3S,5R)-N-cyclohexyl-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1C[C@@H](CN2CCCC2)C[C@H](CO)C1
InChIInChI=1S/C18H33N3O2/c22-14-16-10-15(11-20-8-4-5-9-20)12-21(13-16)18(23)19-17-6-2-1-3-7-17/h15-17,22H,1-14H2,(H,19,23)/t15-,16+/m1/s1
InChIKeyKSSSPHBNLLRBSI-CVEARBPZSA-N
MW323.48 g/mol
LogP2.05
Rot. Bonds4

About (3S,5R)-N-cyclohexyl-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide

(3S,5R)-N-cyclohexyl-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 72839775) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is (3S,5R)-N-cyclohexyl-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,5R)-N-cyclohexyl-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
PubChem CID72839775
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name(3S,5R)-N-cyclohexyl-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1C[C@@H](CN2CCCC2)C[C@H](CO)C1
InChIInChI=1S/C18H33N3O2/c22-14-16-10-15(11-20-8-4-5-9-20)12-21(13-16)18(23)19-17-6-2-1-3-7-17/h15-17,22H,1-14H2,(H,19,23)/t15-,16+/m1/s1
InChIKeyKSSSPHBNLLRBSI-CVEARBPZSA-N
XLogP2.05
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,5R)-N-cyclohexyl-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)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

(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71867658
1-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-methylsulfanylethanone
CID 156603230
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
3-amino-N-cyclohexyl-5-methylpiperidine-1-carboxamide
CID 79993898
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
CID 1332142
3-(aminomethyl)-N-cyclohexylpyrrolidine-1-carboxamide
CID 62061626
N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 60601133
(3R)-3-amino-N-cyclopentylpyrrolidine-1-carboxamide
CID 115301653
2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690079

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-cyclohexyl-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3S,5R)-N-cyclohexyl-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide (CID 72839775) is (3S,5R)-N-cyclohexyl-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S,5R)-N-cyclohexyl-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S,5R)-N-cyclohexyl-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide is O=C(NC1CCCCC1)N1C[C@@H](CN2CCCC2)C[C@H](CO)C1.
What is the InChIKey of (3S,5R)-N-cyclohexyl-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is KSSSPHBNLLRBSI-CVEARBPZSA-N. The full InChI is InChI=1S/C18H33N3O2/c22-14-16-10-15(11-20-8-4-5-9-20)12-21(13-16)18(23)19-17-6-2-1-3-7-17/h15-17,22H,1-14H2,(H,19,23)/t15-,16+/m1/s1.
What are the key properties of (3S,5R)-N-cyclohexyl-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide?
(3S,5R)-N-cyclohexyl-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-cyclohexyl-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 72839775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).