(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide

C12H18N2O2 — CID 81399564

IUPAC(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCNC1)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-9(11-5-3-7-16-11)14-12(15)10-4-2-6-13-8-10/h3,5,7,9-10,13H,2,4,6,8H2,1H3,(H,14,15)/t9-,10-/m0/s1
InChIKeyBSIWFUGBUBMCGV-UWVGGRQHSA-N
MW222.29 g/mol
LogP1.46
Rot. Bonds3

About (3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide

(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 81399564) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID81399564
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCNC1)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-9(11-5-3-7-16-11)14-12(15)10-4-2-6-13-8-10/h3,5,7,9-10,13H,2,4,6,8H2,1H3,(H,14,15)/t9-,10-/m0/s1
InChIKeyBSIWFUGBUBMCGV-UWVGGRQHSA-N
XLogP1.46
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 43535349
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
(3S)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
CID 81141055
N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
CID 43703387
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
N-[(1S)-1-(furan-2-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 81400796
N-[(1S)-1-(furan-2-yl)ethyl]azetidine-2-carboxamide
CID 130949858
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide
CID 175719155
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide (CID 81399564) is (3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide is C[C@H](NC(=O)[C@H]1CCCNC1)c1ccco1.
What is the InChIKey of (3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is BSIWFUGBUBMCGV-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(11-5-3-7-16-11)14-12(15)10-4-2-6-13-8-10/h3,5,7,9-10,13H,2,4,6,8H2,1H3,(H,14,15)/t9-,10-/m0/s1.
What are the key properties of (3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide?
(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 81399564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).