N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide

C18H20N2O3 — CID 5019016

IUPACN-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCCN1C(=O)c1ccoc1
InChIInChI=1S/C18H20N2O3/c21-17(19-12-14-6-2-1-3-7-14)16-8-4-5-10-20(16)18(22)15-9-11-23-13-15/h1-3,6-7,9,11,13,16H,4-5,8,10,12H2,(H,19,21)
InChIKeyZYMIZKZUVQRWFM-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.59
Rot. Bonds4

About N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide

N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide (PubChem CID 5019016) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide
PubChem CID5019016
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCCN1C(=O)c1ccoc1
InChIInChI=1S/C18H20N2O3/c21-17(19-12-14-6-2-1-3-7-14)16-8-4-5-10-20(16)18(22)15-9-11-23-13-15/h1-3,6-7,9,11,13,16H,4-5,8,10,12H2,(H,19,21)
InChIKeyZYMIZKZUVQRWFM-UHFFFAOYSA-N
XLogP2.59
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide
CID 815025
(2R)-N-benzyl-1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 51049765
(3R)-N-benzyl-1-[1-(furan-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26393459
N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 136578492
1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide
CID 136524906
(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide
CID 118738129
1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 112821500
(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide
CID 110286160
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
(2S)-N-benzyl-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 165139302
(2S)-1-[(2R)-1-benzoylpiperidine-2-carbonyl]-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50985907
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide (CID 5019016) is N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide is O=C(NCc1ccccc1)C1CCCCN1C(=O)c1ccoc1.
What is the InChIKey of N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide?
The InChIKey is ZYMIZKZUVQRWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17(19-12-14-6-2-1-3-7-14)16-8-4-5-10-20(16)18(22)15-9-11-23-13-15/h1-3,6-7,9,11,13,16H,4-5,8,10,12H2,(H,19,21).
What are the key properties of N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide?
N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 5019016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).