1-benzyl-N-(4-cyanophenyl)-2-oxo-1,6-diazaspiro[3.3]heptane-6-carboxamide

C20H18N4O2 — CID 136557306

IUPAC1-benzyl-N-(4-cyanophenyl)-2-oxo-1,6-diazaspiro[3.3]heptane-6-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)cc1
InChIInChI=1S/C20H18N4O2/c21-11-15-6-8-17(9-7-15)22-19(26)23-13-20(14-23)10-18(25)24(20)12-16-4-2-1-3-5-16/h1-9H,10,12-14H2,(H,22,26)
InChIKeyCYVIZQIDQPKTTH-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.58
Rot. Bonds3

About 1-benzyl-N-(4-cyanophenyl)-2-oxo-1,6-diazaspiro[3.3]heptane-6-carboxamide

1-benzyl-N-(4-cyanophenyl)-2-oxo-1,6-diazaspiro[3.3]heptane-6-carboxamide (PubChem CID 136557306) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-benzyl-N-(4-cyanophenyl)-2-oxo-1,6-diazaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-cyanophenyl)-2-oxo-1,6-diazaspiro[3.3]heptane-6-carboxamide
PubChem CID136557306
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1-benzyl-N-(4-cyanophenyl)-2-oxo-1,6-diazaspiro[3.3]heptane-6-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)cc1
InChIInChI=1S/C20H18N4O2/c21-11-15-6-8-17(9-7-15)22-19(26)23-13-20(14-23)10-18(25)24(20)12-16-4-2-1-3-5-16/h1-9H,10,12-14H2,(H,22,26)
InChIKeyCYVIZQIDQPKTTH-UHFFFAOYSA-N
XLogP2.58
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-benzyl-4-N-(4-cyanophenyl)piperazine-1,4-dicarboxamide
CID 23820519
(3S,3aS,6aS)-1-benzyl-N-(4-cyanophenyl)-3-hydroxy-2-oxo-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-b]pyrrole-5-carboxamide
CID 146119749
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
N-(4-cyanophenyl)-4-formylpiperazine-1-carboxamide
CID 23875995
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140895054
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
N-(4-cyanophenyl)pyrrole-1-carboxamide
CID 57233702
N-(4-cyanophenyl)-4-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 113114814
5-(benzylamino)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109188122

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-cyanophenyl)-2-oxo-1,6-diazaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of 1-benzyl-N-(4-cyanophenyl)-2-oxo-1,6-diazaspiro[3.3]heptane-6-carboxamide (CID 136557306) is 1-benzyl-N-(4-cyanophenyl)-2-oxo-1,6-diazaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-cyanophenyl)-2-oxo-1,6-diazaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-cyanophenyl)-2-oxo-1,6-diazaspiro[3.3]heptane-6-carboxamide is N#Cc1ccc(NC(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)cc1.
What is the InChIKey of 1-benzyl-N-(4-cyanophenyl)-2-oxo-1,6-diazaspiro[3.3]heptane-6-carboxamide?
The InChIKey is CYVIZQIDQPKTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-11-15-6-8-17(9-7-15)22-19(26)23-13-20(14-23)10-18(25)24(20)12-16-4-2-1-3-5-16/h1-9H,10,12-14H2,(H,22,26).
What are the key properties of 1-benzyl-N-(4-cyanophenyl)-2-oxo-1,6-diazaspiro[3.3]heptane-6-carboxamide?
1-benzyl-N-(4-cyanophenyl)-2-oxo-1,6-diazaspiro[3.3]heptane-6-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-cyanophenyl)-2-oxo-1,6-diazaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 136557306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).