3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide

C24H31N3O2 — CID 109055636

IUPAC3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C24H31N3O2/c1-3-4-13-25(2)23(28)21-11-8-12-22(18-21)24(29)27-16-14-26(15-17-27)19-20-9-6-5-7-10-20/h5-12,18H,3-4,13-17,19H2,1-2H3
InChIKeyHPCBWVXDPJWHFF-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.52
Rot. Bonds7

About 3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide

3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide (PubChem CID 109055636) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide.

Molecular Properties

Compound Name3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide
PubChem CID109055636
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C24H31N3O2/c1-3-4-13-25(2)23(28)21-11-8-12-22(18-21)24(29)27-16-14-26(15-17-27)19-20-9-6-5-7-10-20/h5-12,18H,3-4,13-17,19H2,1-2H3
InChIKeyHPCBWVXDPJWHFF-UHFFFAOYSA-N
XLogP3.52
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 17462290
1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109026864
1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109056371
(3-aminophenyl)-(4-benzylpiperazin-1-yl)methanone;dihydrochloride
CID 119826758
5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide
CID 109101958
(4-benzyl-1,4-diazepan-1-yl)-(3-bromophenyl)methanone
CID 23765712
N-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-methylbenzamide
CID 109048336
3-(4-benzylpiperazine-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 27671245
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3-pyrrol-1-ylbenzamide
CID 17392035
(4-benzylpiperazin-1-yl)-[2-[butyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
CID 109331519
[3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856681
1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide
CID 109055821

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide?
The IUPAC name of 3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide (CID 109055636) is 3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide.
What is the SMILES notation for 3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide?
The canonical SMILES for 3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide is CCCCN(C)C(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide?
The InChIKey is HPCBWVXDPJWHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-3-4-13-25(2)23(28)21-11-8-12-22(18-21)24(29)27-16-14-26(15-17-27)19-20-9-6-5-7-10-20/h5-12,18H,3-4,13-17,19H2,1-2H3.
What are the key properties of 3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide?
3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide has a molecular weight of 393.53 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazine-1-carbonyl)-N-butyl-N-methylbenzamide is sourced from PubChem (CID 109055636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).