N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide

C23H29N3O2 — CID 109046122

IUPACN-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-18(2)26(17-19-7-5-4-6-8-19)23(28)21-11-9-20(10-12-21)22(27)25-15-13-24(3)14-16-25/h4-12,18H,13-17H2,1-3H3
InChIKeyQIQYOWRNZDMATA-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.12
Rot. Bonds5

About N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide

N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide (PubChem CID 109046122) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
PubChem CID109046122
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-18(2)26(17-19-7-5-4-6-8-19)23(28)21-11-9-20(10-12-21)22(27)25-15-13-24(3)14-16-25/h4-12,18H,13-17H2,1-3H3
InChIKeyQIQYOWRNZDMATA-UHFFFAOYSA-N
XLogP3.12
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046086
N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51180384
4-N-benzyl-1-N-methyl-1-N-phenyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109048603
N-benzyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 30100120
N-benzyl-4-chloro-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 112759604
N-benzyl-4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 30099628
3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017239
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide
CID 109254780
2-[benzyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99967333
N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide
CID 51323616
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 2813483

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide?
The IUPAC name of N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide (CID 109046122) is N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide?
The canonical SMILES for N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide?
The InChIKey is QIQYOWRNZDMATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18(2)26(17-19-7-5-4-6-8-19)23(28)21-11-9-20(10-12-21)22(27)25-15-13-24(3)14-16-25/h4-12,18H,13-17H2,1-3H3.
What are the key properties of N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide?
N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide has a molecular weight of 379.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 109046122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).