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

C12H18N2O2 — CID 93104490

IUPAC(2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCCCN1)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-9(11-6-4-8-16-11)14-12(15)10-5-2-3-7-13-10/h4,6,8-10,13H,2-3,5,7H2,1H3,(H,14,15)/t9-,10-/m0/s1
InChIKeyJAPBXNMZMLINGG-UWVGGRQHSA-N
MW222.29 g/mol
LogP1.60
Rot. Bonds3

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

(2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide (PubChem CID 93104490) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide
PubChem CID93104490
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCCCN1)c1ccco1
InChIInChI=1S/C12H18N2O2/c1-9(11-6-4-8-16-11)14-12(15)10-5-2-3-7-13-10/h4,6,8-10,13H,2-3,5,7H2,1H3,(H,14,15)/t9-,10-/m0/s1
InChIKeyJAPBXNMZMLINGG-UWVGGRQHSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]azetidine-2-carboxamide
CID 130949858
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
N-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 81399681
N-[1-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 43535349
(2R)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-2-carboxamide
CID 104913652
N-[1-(furan-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015111
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 81378547
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914385
(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 81399564

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide (CID 93104490) is (2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide is C[C@H](NC(=O)[C@@H]1CCCCN1)c1ccco1.
What is the InChIKey of (2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is JAPBXNMZMLINGG-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(11-6-4-8-16-11)14-12(15)10-5-2-3-7-13-10/h4,6,8-10,13H,2-3,5,7H2,1H3,(H,14,15)/t9-,10-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide?
(2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 93104490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).