N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide

C23H27N3O2 — CID 1055927

IUPACN-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)C1CCCC1
InChIInChI=1S/C23H27N3O2/c27-22(18-6-4-5-7-18)24-20-10-12-21(13-11-20)25-14-16-26(17-15-25)23(28)19-8-2-1-3-9-19/h1-3,8-13,18H,4-7,14-17H2,(H,24,27)
InChIKeyWRTNJFSXNOLAKK-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.78
Rot. Bonds4

About N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide

N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide (PubChem CID 1055927) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
PubChem CID1055927
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)C1CCCC1
InChIInChI=1S/C23H27N3O2/c27-22(18-6-4-5-7-18)24-20-10-12-21(13-11-20)25-14-16-26(17-15-25)23(28)19-8-2-1-3-9-19/h1-3,8-13,18H,4-7,14-17H2,(H,24,27)
InChIKeyWRTNJFSXNOLAKK-UHFFFAOYSA-N
XLogP3.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 110298371
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 15999586
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 1055952
N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 37070969
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 2988050
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
CID 112984587
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]cyclopentanecarboxamide
CID 42663766
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9327985
[4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 90728867

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide (CID 1055927) is N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide is O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)C1CCCC1.
What is the InChIKey of N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide?
The InChIKey is WRTNJFSXNOLAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(18-6-4-5-7-18)24-20-10-12-21(13-11-20)25-14-16-26(17-15-25)23(28)19-8-2-1-3-9-19/h1-3,8-13,18H,4-7,14-17H2,(H,24,27).
What are the key properties of N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide?
N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 1055927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).