N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide

C25H32N4O2 — CID 112820366

IUPACN-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide
SMILESCc1ccc(C(=O)N2CCN(CCN3CCCC3)CC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C25H32N4O2/c1-20-9-10-22(19-23(20)26-24(30)21-7-3-2-4-8-21)25(31)29-17-15-28(16-18-29)14-13-27-11-5-6-12-27/h2-4,7-10,19H,5-6,11-18H2,1H3,(H,26,30)
InChIKeyVTYCRLARQYBTOH-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.10
Rot. Bonds6

About N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide

N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide (PubChem CID 112820366) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide
PubChem CID112820366
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide
SMILESCc1ccc(C(=O)N2CCN(CCN3CCCC3)CC2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C25H32N4O2/c1-20-9-10-22(19-23(20)26-24(30)21-7-3-2-4-8-21)25(31)29-17-15-28(16-18-29)14-13-27-11-5-6-12-27/h2-4,7-10,19H,5-6,11-18H2,1H3,(H,26,30)
InChIKeyVTYCRLARQYBTOH-UHFFFAOYSA-N
XLogP3.10
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119402734
N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide
CID 55630713
1-(3-benzamido-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251150
1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119354954
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide
CID 55723196
2-fluoro-N-[2-methyl-5-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 56543165
N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119579469
3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447939
N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide
CID 97240619
N-[2-methyl-5-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119541237

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide?
The IUPAC name of N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide (CID 112820366) is N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide is Cc1ccc(C(=O)N2CCN(CCN3CCCC3)CC2)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide?
The InChIKey is VTYCRLARQYBTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-20-9-10-22(19-23(20)26-24(30)21-7-3-2-4-8-21)25(31)29-17-15-28(16-18-29)14-13-27-11-5-6-12-27/h2-4,7-10,19H,5-6,11-18H2,1H3,(H,26,30).
What are the key properties of N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide?
N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide has a molecular weight of 420.56 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 112820366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).