(3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C19H32N2O2 — CID 96543595

IUPAC(3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)N1CCC[C@H](CO)C1
InChIInChI=1S/C19H32N2O2/c22-13-14-2-1-5-21(12-14)18(23)20-4-3-19-9-15-6-16(10-19)8-17(7-15)11-19/h14-17,22H,1-13H2,(H,20,23)/t14-,15?,16?,17?,19?/m0/s1
InChIKeyLRCNJMLKCGTLID-ISOUWHGUSA-N
MW320.48 g/mol
LogP3.01
Rot. Bonds4

About (3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide

(3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 96543595) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID96543595
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name(3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)N1CCC[C@H](CO)C1
InChIInChI=1S/C19H32N2O2/c22-13-14-2-1-5-21(12-14)18(23)20-4-3-19-9-15-6-16(10-19)8-17(7-15)11-19/h14-17,22H,1-13H2,(H,20,23)/t14-,15?,16?,17?,19?/m0/s1
InChIKeyLRCNJMLKCGTLID-ISOUWHGUSA-N
XLogP3.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)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

(3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96543593
(3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
CID 99773486
N-(2-tert-butylsulfinylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111432818
N-[2-(4-ethylphenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111435204
N-[2-(3-fluorophenyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882655
N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110894046
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 110895928
3-(hydroxymethyl)-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboxamide
CID 110895517
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 87000385

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 96543595) is (3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)N1CCC[C@H](CO)C1.
What is the InChIKey of (3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is LRCNJMLKCGTLID-ISOUWHGUSA-N. The full InChI is InChI=1S/C19H32N2O2/c22-13-14-2-1-5-21(12-14)18(23)20-4-3-19-9-15-6-16(10-19)8-17(7-15)11-19/h14-17,22H,1-13H2,(H,20,23)/t14-,15?,16?,17?,19?/m0/s1.
What are the key properties of (3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
(3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 320.48 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 96543595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).