N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide

C24H31N3O2 — CID 109044078

IUPACN-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-5-18(3)25-23(28)20-9-11-21(12-10-20)24(29)27-15-13-26(14-16-27)22-8-6-7-17(2)19(22)4/h6-12,18H,5,13-16H2,1-4H3,(H,25,28)
InChIKeyAHSCBOVIAQXVBY-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.79
Rot. Bonds5

About N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide

N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide (PubChem CID 109044078) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide
PubChem CID109044078
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-5-18(3)25-23(28)20-9-11-21(12-10-20)24(29)27-15-13-26(14-16-27)22-8-6-7-17(2)19(22)4/h6-12,18H,5,13-16H2,1-4H3,(H,25,28)
InChIKeyAHSCBOVIAQXVBY-UHFFFAOYSA-N
XLogP3.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109249071
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
(4-bromophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1221745
[2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109165914
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109044082
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzonitrile
CID 2426903
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 4282020
[(2S,3S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 7918845
N-[(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 87040086
N-[(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7997587
N-[(2R)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 40652874

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide?
The IUPAC name of N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide (CID 109044078) is N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide?
The canonical SMILES for N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide is CCC(C)NC(=O)c1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1.
What is the InChIKey of N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide?
The InChIKey is AHSCBOVIAQXVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-5-18(3)25-23(28)20-9-11-21(12-10-20)24(29)27-15-13-26(14-16-27)22-8-6-7-17(2)19(22)4/h6-12,18H,5,13-16H2,1-4H3,(H,25,28).
What are the key properties of N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide?
N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide has a molecular weight of 393.53 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide is sourced from PubChem (CID 109044078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).