4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide

C25H30N4O3 — CID 60546042

IUPAC4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C25H30N4O3/c1-19-11-13-27(14-12-19)24(31)21-7-9-22(10-8-21)26-25(32)29-17-15-28(16-18-29)23(30)20-5-3-2-4-6-20/h2-10,19H,11-18H2,1H3,(H,26,32)
InChIKeySWSZWIOSOGEJAT-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.55
Rot. Bonds3

About 4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide

4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide (PubChem CID 60546042) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
PubChem CID60546042
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C25H30N4O3/c1-19-11-13-27(14-12-19)24(31)21-7-9-22(10-8-21)26-25(32)29-17-15-28(16-18-29)23(30)20-5-3-2-4-6-20/h2-10,19H,11-18H2,1H3,(H,26,32)
InChIKeySWSZWIOSOGEJAT-UHFFFAOYSA-N
XLogP3.55
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 47326206
2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179593
4-benzoyl-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide
CID 24948679
N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide
CID 61347422
(1S,6S)-6-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 52506416
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119301656
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
N'-[(2-methylcyclopropyl)-phenylmethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]oxamide
CID 86960571

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide (CID 60546042) is 4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide is CC1CCN(C(=O)c2ccc(NC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2)CC1.
What is the InChIKey of 4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide?
The InChIKey is SWSZWIOSOGEJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-19-11-13-27(14-12-19)24(31)21-7-9-22(10-8-21)26-25(32)29-17-15-28(16-18-29)23(30)20-5-3-2-4-6-20/h2-10,19H,11-18H2,1H3,(H,26,32).
What are the key properties of 4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide?
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 60546042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).