N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide

C21H25N3O2 — CID 109046086

IUPACN-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCN1CCN(C(=O)c2ccc(C(=O)N(C)Cc3ccccc3)cc2)CC1
InChIInChI=1S/C21H25N3O2/c1-22-12-14-24(15-13-22)21(26)19-10-8-18(9-11-19)20(25)23(2)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3
InChIKeyPDOPDASNSSILDR-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.35
Rot. Bonds4

About N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide

N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide (PubChem CID 109046086) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide
PubChem CID109046086
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCN1CCN(C(=O)c2ccc(C(=O)N(C)Cc3ccccc3)cc2)CC1
InChIInChI=1S/C21H25N3O2/c1-22-12-14-24(15-13-22)21(26)19-10-8-18(9-11-19)20(25)23(2)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3
InChIKeyPDOPDASNSSILDR-UHFFFAOYSA-N
XLogP2.35
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(4-methylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109046122
N-benzyl-N-methyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944328
N-benzyl-4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzamide
CID 109047100
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080522
N-benzyl-4-chloro-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 112759604
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
(4-methylpiperazin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 3692173
2-[benzyl(methylsulfonyl)amino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 99967333

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide (CID 109046086) is N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide is CN1CCN(C(=O)c2ccc(C(=O)N(C)Cc3ccccc3)cc2)CC1.
What is the InChIKey of N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide?
The InChIKey is PDOPDASNSSILDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-22-12-14-24(15-13-22)21(26)19-10-8-18(9-11-19)20(25)23(2)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide?
N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide has a molecular weight of 351.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109046086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).