(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide

C20H20N2O3 — CID 94816747

IUPAC(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
SMILESO=C(NCC#Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C20H20N2O3/c23-19(21-13-6-10-16-8-2-1-3-9-16)17-11-4-5-14-22(17)20(24)18-12-7-15-25-18/h1-3,7-9,12,15,17H,4-5,11,13-14H2,(H,21,23)/t17-/m0/s1
InChIKeyLMTLLSGJJKTENJ-KRWDZBQOSA-N
MW336.39 g/mol
LogP2.44
Rot. Bonds3

About (2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide

(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide (PubChem CID 94816747) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
PubChem CID94816747
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
SMILESO=C(NCC#Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C20H20N2O3/c23-19(21-13-6-10-16-8-2-1-3-9-16)17-11-4-5-14-22(17)20(24)18-12-7-15-25-18/h1-3,7-9,12,15,17H,4-5,11,13-14H2,(H,21,23)/t17-/m0/s1
InChIKeyLMTLLSGJJKTENJ-KRWDZBQOSA-N
XLogP2.44
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877
(2S)-N-(3-phenylprop-2-ynyl)-1-propanoylpiperidine-2-carboxamide
CID 94819073
benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
CID 60552080
4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide
CID 32581229
(2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide
CID 52524693
1-(furan-2-carbonyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-2-carboxamide
CID 55974900
(2R)-N-[(1-ethylcyclobutyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 97011673
N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide
CID 24658797
1-(furan-2-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 75195661
N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 136578492

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide (CID 94816747) is (2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide is O=C(NCC#Cc1ccccc1)[C@@H]1CCCCN1C(=O)c1ccco1.
What is the InChIKey of (2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide?
The InChIKey is LMTLLSGJJKTENJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19(21-13-6-10-16-8-2-1-3-9-16)17-11-4-5-14-22(17)20(24)18-12-7-15-25-18/h1-3,7-9,12,15,17H,4-5,11,13-14H2,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide?
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide is sourced from PubChem (CID 94816747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).