4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide

C17H24N4O3 — CID 110812235

IUPAC4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C17H24N4O3/c1-3-8-18-17(24)21-11-9-20(10-12-21)16(23)14-4-6-15(7-5-14)19-13(2)22/h4-7H,3,8-12H2,1-2H3,(H,18,24)(H,19,22)
InChIKeyKKLQYWRTMBQKAC-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.52
Rot. Bonds4

About 4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide

4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide (PubChem CID 110812235) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide
PubChem CID110812235
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C17H24N4O3/c1-3-8-18-17(24)21-11-9-20(10-12-21)16(23)14-4-6-15(7-5-14)19-13(2)22/h4-7H,3,8-12H2,1-2H3,(H,18,24)(H,19,22)
InChIKeyKKLQYWRTMBQKAC-UHFFFAOYSA-N
XLogP1.52
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide
CID 110821964
4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812417
N-propyl-4-(4-pyrrol-1-ylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813322
4-(4-acetamidobenzoyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 110813341
N-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800200
4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 110812233
4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812267
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110365697
N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 41418625
N-ethyl-4-(4-iodobenzoyl)piperazine-1-carboxamide
CID 60698551
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806427

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide (CID 110812235) is 4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)c2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of 4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is KKLQYWRTMBQKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-3-8-18-17(24)21-11-9-20(10-12-21)16(23)14-4-6-15(7-5-14)19-13(2)22/h4-7H,3,8-12H2,1-2H3,(H,18,24)(H,19,22).
What are the key properties of 4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide?
4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110812235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).