(3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide

C12H22N2O2 — CID 81134846

IUPAC(3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
SMILESCC1(CNC(=O)[C@H]2CCCNC2)CCCO1
InChIInChI=1S/C12H22N2O2/c1-12(5-3-7-16-12)9-14-11(15)10-4-2-6-13-8-10/h10,13H,2-9H2,1H3,(H,14,15)/t10-,12?/m0/s1
InChIKeyOUEZSVPKGYRTDS-NUHJPDEHSA-N
MW226.32 g/mol
LogP0.67
Rot. Bonds3

About (3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide

(3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 81134846) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
PubChem CID81134846
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
SMILESCC1(CNC(=O)[C@H]2CCCNC2)CCCO1
InChIInChI=1S/C12H22N2O2/c1-12(5-3-7-16-12)9-14-11(15)10-4-2-6-13-8-10/h10,13H,2-9H2,1H3,(H,14,15)/t10-,12?/m0/s1
InChIKeyOUEZSVPKGYRTDS-NUHJPDEHSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
CID 81134961
2-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-3-ylpropanamide
CID 83031072
(3R)-N-[(1-hydroxycyclobutyl)methyl]piperidine-3-carboxamide
CID 104874196
(3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide
CID 81133718
1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 113311227
N-[(1-ethylcyclopentyl)methyl]piperidine-3-carboxamide
CID 103797871
N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119782234
(2S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119782231
N-[(1,4-dimethylpiperidin-4-yl)methyl]piperidine-3-carboxamide
CID 107163930
4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115439966
2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81161187
N-(2-oxopropyl)piperidine-3-carboxamide
CID 83629204

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide (CID 81134846) is (3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide is CC1(CNC(=O)[C@H]2CCCNC2)CCCO1.
What is the InChIKey of (3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is OUEZSVPKGYRTDS-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(5-3-7-16-12)9-14-11(15)10-4-2-6-13-8-10/h10,13H,2-9H2,1H3,(H,14,15)/t10-,12?/m0/s1.
What are the key properties of (3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide?
(3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 81134846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).