(3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide

C14H22N2O2 — CID 81141055

IUPAC(3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
SMILESCC(CCc1ccco1)NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C14H22N2O2/c1-11(6-7-13-5-3-9-18-13)16-14(17)12-4-2-8-15-10-12/h3,5,9,11-12,15H,2,4,6-8,10H2,1H3,(H,16,17)/t11?,12-/m0/s1
InChIKeyLCKSZAVNULITTO-KIYNQFGBSA-N
MW250.34 g/mol
LogP1.72
Rot. Bonds5

About (3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide

(3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide (PubChem CID 81141055) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
PubChem CID81141055
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
SMILESCC(CCc1ccco1)NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C14H22N2O2/c1-11(6-7-13-5-3-9-18-13)16-14(17)12-4-2-8-15-10-12/h3,5,9,11-12,15H,2,4,6-8,10H2,1H3,(H,16,17)/t11?,12-/m0/s1
InChIKeyLCKSZAVNULITTO-KIYNQFGBSA-N
XLogP1.72
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 81399564
(3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 114084833
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
N-[4-(furan-2-yl)butan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 75414137
N-[4-(furan-2-yl)butan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76896522
N-(1-phenylmethoxypropan-2-yl)piperidine-3-carboxamide
CID 119335297
N-(6-methylheptan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119262989
N-[4-(furan-2-yl)butan-2-yl]-2-piperazin-1-ylacetamide
CID 61249923
(3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 81123725
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
(3R)-1-[4-(furan-2-yl)butan-2-ylcarbamoyl]piperidine-3-carboxylic acid
CID 81128264

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide (CID 81141055) is (3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide is CC(CCc1ccco1)NC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide?
The InChIKey is LCKSZAVNULITTO-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(6-7-13-5-3-9-18-13)16-14(17)12-4-2-8-15-10-12/h3,5,9,11-12,15H,2,4,6-8,10H2,1H3,(H,16,17)/t11?,12-/m0/s1.
What are the key properties of (3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide?
(3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 81141055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).