2-(3-carbamimidoylphenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]cyclopentene-1-carboxamide

C24H26N4O2 — CID 10201129

IUPAC2-(3-carbamimidoylphenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]cyclopentene-1-carboxamide
SMILES[H]/N=C(\N)c1cccc(C2=C(C(=O)Nc3ccc(N4CCCCC4=O)cc3)CCC2)c1
InChIInChI=1S/C24H26N4O2/c25-23(26)17-6-3-5-16(15-17)20-7-4-8-21(20)24(30)27-18-10-12-19(13-11-18)28-14-2-1-9-22(28)29/h3,5-6,10-13,15H,1-2,4,7-9,14H2,(H3,25,26)(H,27,30)
InChIKeyBYBIROJMERLNMP-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.06
Rot. Bonds5

About 2-(3-carbamimidoylphenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]cyclopentene-1-carboxamide

2-(3-carbamimidoylphenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]cyclopentene-1-carboxamide (PubChem CID 10201129) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-(3-carbamimidoylphenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]cyclopentene-1-carboxamide.

Molecular Properties

Compound Name2-(3-carbamimidoylphenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]cyclopentene-1-carboxamide
PubChem CID10201129
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-(3-carbamimidoylphenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]cyclopentene-1-carboxamide
SMILES[H]/N=C(\N)c1cccc(C2=C(C(=O)Nc3ccc(N4CCCCC4=O)cc3)CCC2)c1
InChIInChI=1S/C24H26N4O2/c25-23(26)17-6-3-5-16(15-17)20-7-4-8-21(20)24(30)27-18-10-12-19(13-11-18)28-14-2-1-9-22(28)29/h3,5-6,10-13,15H,1-2,4,7-9,14H2,(H3,25,26)(H,27,30)
InChIKeyBYBIROJMERLNMP-UHFFFAOYSA-N
XLogP4.06
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopenten-1-yl]benzamide
CID 10272515
2-(3-carbamimidoylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanamide
CID 10223170
[1-(3-carbamimidoylphenoxy)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl] acetate
CID 141059156
3-chloro-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687271
N-[4-(2-oxopiperidin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7687294
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
N,N-dimethyl-3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 51339093
3,4-dimethyl-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687280

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamimidoylphenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]cyclopentene-1-carboxamide?
The IUPAC name of 2-(3-carbamimidoylphenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]cyclopentene-1-carboxamide (CID 10201129) is 2-(3-carbamimidoylphenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]cyclopentene-1-carboxamide.
What is the SMILES notation for 2-(3-carbamimidoylphenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]cyclopentene-1-carboxamide?
The canonical SMILES for 2-(3-carbamimidoylphenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]cyclopentene-1-carboxamide is [H]/N=C(\N)c1cccc(C2=C(C(=O)Nc3ccc(N4CCCCC4=O)cc3)CCC2)c1.
What is the InChIKey of 2-(3-carbamimidoylphenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]cyclopentene-1-carboxamide?
The InChIKey is BYBIROJMERLNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c25-23(26)17-6-3-5-16(15-17)20-7-4-8-21(20)24(30)27-18-10-12-19(13-11-18)28-14-2-1-9-22(28)29/h3,5-6,10-13,15H,1-2,4,7-9,14H2,(H3,25,26)(H,27,30).
What are the key properties of 2-(3-carbamimidoylphenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]cyclopentene-1-carboxamide?
2-(3-carbamimidoylphenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]cyclopentene-1-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamimidoylphenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]cyclopentene-1-carboxamide is sourced from PubChem (CID 10201129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).