4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide

C23H29N3O2 — CID 109043879

IUPAC4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-18(2)16-24-22(27)20-8-10-21(11-9-20)23(28)26-14-12-25(13-15-26)17-19-6-4-3-5-7-19/h3-11,18H,12-17H2,1-2H3,(H,24,27)
InChIKeyIDQVZEOZSFXIKU-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.03
Rot. Bonds6

About 4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide

4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide (PubChem CID 109043879) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide
PubChem CID109043879
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-18(2)16-24-22(27)20-8-10-21(11-9-20)23(28)26-14-12-25(13-15-26)17-19-6-4-3-5-7-19/h3-11,18H,12-17H2,1-2H3,(H,24,27)
InChIKeyIDQVZEOZSFXIKU-UHFFFAOYSA-N
XLogP3.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzoyl-N-[4-(2-methylpropylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
CID 112838505
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
(4-benzylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone
CID 55752420
4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide
CID 55346373
(4-benzyl-1,4-diazepan-1-yl)-(4-methylphenyl)methanone
CID 23738787
2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077665
4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078255
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 27671405
(4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone
CID 109159553
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-pyrrol-1-ylbenzamide
CID 60592781

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide (CID 109043879) is 4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide?
The InChIKey is IDQVZEOZSFXIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18(2)16-24-22(27)20-8-10-21(11-9-20)23(28)26-14-12-25(13-15-26)17-19-6-4-3-5-7-19/h3-11,18H,12-17H2,1-2H3,(H,24,27).
What are the key properties of 4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide?
4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide has a molecular weight of 379.50 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 109043879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).