(2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

C21H22N4O4 — CID 95587013

IUPAC(2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(NCc1nc(Cc2ccccc2)no1)[C@@H]1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C21H22N4O4/c26-20(16-9-4-5-11-25(16)21(27)17-10-6-12-28-17)22-14-19-23-18(24-29-19)13-15-7-2-1-3-8-15/h1-3,6-8,10,12,16H,4-5,9,11,13-14H2,(H,22,26)/t16-/m0/s1
InChIKeyIMUGMSRMXUIYGQ-INIZCTEOSA-N
MW394.43 g/mol
LogP2.56
Rot. Bonds6

About (2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

(2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (PubChem CID 95587013) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is (2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
PubChem CID95587013
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name(2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(NCc1nc(Cc2ccccc2)no1)[C@@H]1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C21H22N4O4/c26-20(16-9-4-5-11-25(16)21(27)17-10-6-12-28-17)22-14-19-23-18(24-29-19)13-15-7-2-1-3-8-15/h1-3,6-8,10,12,16H,4-5,9,11,13-14H2,(H,22,26)/t16-/m0/s1
InChIKeyIMUGMSRMXUIYGQ-INIZCTEOSA-N
XLogP2.56
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (CID 95587013) is (2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is O=C(NCc1nc(Cc2ccccc2)no1)[C@@H]1CCCCN1C(=O)c1ccco1.
What is the InChIKey of (2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is IMUGMSRMXUIYGQ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N4O4/c26-20(16-9-4-5-11-25(16)21(27)17-10-6-12-28-17)22-14-19-23-18(24-29-19)13-15-7-2-1-3-8-15/h1-3,6-8,10,12,16H,4-5,9,11,13-14H2,(H,22,26)/t16-/m0/s1.
What are the key properties of (2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
(2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 95587013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).