4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide

C19H26N4O3 — CID 110812202

IUPAC4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(C(=O)NC3CCCC3)CC2)c1
InChIInChI=1S/C19H26N4O3/c1-14(24)20-17-8-4-5-15(13-17)18(25)22-9-11-23(12-10-22)19(26)21-16-6-2-3-7-16/h4-5,8,13,16H,2-3,6-7,9-12H2,1H3,(H,20,24)(H,21,26)
InChIKeyQIVNMTQFVFWFEQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.06
Rot. Bonds3

About 4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide

4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide (PubChem CID 110812202) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide
PubChem CID110812202
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(C(=O)NC3CCCC3)CC2)c1
InChIInChI=1S/C19H26N4O3/c1-14(24)20-17-8-4-5-15(13-17)18(25)22-9-11-23(12-10-22)19(26)21-16-6-2-3-7-16/h4-5,8,13,16H,2-3,6-7,9-12H2,1H3,(H,20,24)(H,21,26)
InChIKeyQIVNMTQFVFWFEQ-UHFFFAOYSA-N
XLogP2.06
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 110812233
N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 38217781
N-[3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]acetamide
CID 55347361
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558184
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551288
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555614
1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51082716
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551397
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508951
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
methyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 110808690
4-(3-acetamidobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38724570

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide (CID 110812202) is 4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide is CC(=O)Nc1cccc(C(=O)N2CCN(C(=O)NC3CCCC3)CC2)c1.
What is the InChIKey of 4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide?
The InChIKey is QIVNMTQFVFWFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14(24)20-17-8-4-5-15(13-17)18(25)22-9-11-23(12-10-22)19(26)21-16-6-2-3-7-16/h4-5,8,13,16H,2-3,6-7,9-12H2,1H3,(H,20,24)(H,21,26).
What are the key properties of 4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide?
4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide is sourced from PubChem (CID 110812202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).