(3S)-N-(oxetan-3-yl)piperidine-3-carboxamide

C9H16N2O2 — CID 81134235

IUPAC(3S)-N-(oxetan-3-yl)piperidine-3-carboxamide
SMILESO=C(NC1COC1)[C@H]1CCCNC1
InChIInChI=1S/C9H16N2O2/c12-9(11-8-5-13-6-8)7-2-1-3-10-4-7/h7-8,10H,1-6H2,(H,11,12)/t7-/m0/s1
InChIKeyISUJIESGVJSOJK-ZETCQYMHSA-N
MW184.24 g/mol
LogP-0.50
Rot. Bonds2

About (3S)-N-(oxetan-3-yl)piperidine-3-carboxamide

(3S)-N-(oxetan-3-yl)piperidine-3-carboxamide (PubChem CID 81134235) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3S)-N-(oxetan-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(oxetan-3-yl)piperidine-3-carboxamide
PubChem CID81134235
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(3S)-N-(oxetan-3-yl)piperidine-3-carboxamide
SMILESO=C(NC1COC1)[C@H]1CCCNC1
InChIInChI=1S/C9H16N2O2/c12-9(11-8-5-13-6-8)7-2-1-3-10-4-7/h7-8,10H,1-6H2,(H,11,12)/t7-/m0/s1
InChIKeyISUJIESGVJSOJK-ZETCQYMHSA-N
XLogP-0.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-cyclobutylpiperidine-3-carboxamide
CID 81141296
(3R)-N-(3,5-dimethylcyclohexyl)piperidine-3-carboxamide
CID 81134524
N-[3-(methylamino)cyclopentyl]piperidine-3-carboxamide
CID 178010430
N-(4-tert-butylcyclohexyl)piperidine-3-carboxamide
CID 140506457
(3R)-N-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxamide
CID 103966600
N-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 81129562
(3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 81124488
(3R)-N-(2,2,3,3-tetramethylcyclopropyl)piperidine-3-carboxamide
CID 81133413
N-[1-(piperidine-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;hydrochloride
CID 119278114
(3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide
CID 81123219
3-methyl-4-(piperidine-3-carbonylamino)oxolane-3-carboxylic acid
CID 66249534
N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-3-carboxamide
CID 107222065

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(oxetan-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(oxetan-3-yl)piperidine-3-carboxamide (CID 81134235) is (3S)-N-(oxetan-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(oxetan-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(oxetan-3-yl)piperidine-3-carboxamide is O=C(NC1COC1)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(oxetan-3-yl)piperidine-3-carboxamide?
The InChIKey is ISUJIESGVJSOJK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9(11-8-5-13-6-8)7-2-1-3-10-4-7/h7-8,10H,1-6H2,(H,11,12)/t7-/m0/s1.
What are the key properties of (3S)-N-(oxetan-3-yl)piperidine-3-carboxamide?
(3S)-N-(oxetan-3-yl)piperidine-3-carboxamide has a molecular weight of 184.24 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(oxetan-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 81134235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).