N-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]-2-methylbenzamide

C24H31N3O2 — CID 42702868

IUPACN-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCCCC(NC(=O)c1ccccc1C)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-3-9-22(25-23(28)21-13-8-7-10-19(21)2)24(29)27-16-14-26(15-17-27)18-20-11-5-4-6-12-20/h4-8,10-13,22H,3,9,14-18H2,1-2H3,(H,25,28)
InChIKeyYFJYFRBTDHYFON-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.24
Rot. Bonds7

About N-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]-2-methylbenzamide

N-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 42702868) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID42702868
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCCCC(NC(=O)c1ccccc1C)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-3-9-22(25-23(28)21-13-8-7-10-19(21)2)24(29)27-16-14-26(15-17-27)18-20-11-5-4-6-12-20/h4-8,10-13,22H,3,9,14-18H2,1-2H3,(H,25,28)
InChIKeyYFJYFRBTDHYFON-UHFFFAOYSA-N
XLogP3.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 46523708
N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78774150
2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butan-2-yl]benzamide
CID 9226292
[1-[4-[(4-ethylsulfonylphenyl)methyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 90230348
[4-[(2R)-3-(4-benzylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]methylcarbamic acid
CID 155024982
1-(4-benzylpiperazin-1-yl)-2-ethylbutan-1-one
CID 1092017
(4-benzylpiperazin-1-yl)-(2-methylphenyl)methanethione
CID 101069895
N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
CID 110285473
[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 22016527
2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide
CID 30214326
2-methyl-N-[(2R)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide
CID 30214324
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methylbenzamide
CID 61120312

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]-2-methylbenzamide (CID 42702868) is N-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]-2-methylbenzamide is CCCC(NC(=O)c1ccccc1C)C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is YFJYFRBTDHYFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-3-9-22(25-23(28)21-13-8-7-10-19(21)2)24(29)27-16-14-26(15-17-27)18-20-11-5-4-6-12-20/h4-8,10-13,22H,3,9,14-18H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]-2-methylbenzamide?
N-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 393.53 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzylpiperazin-1-yl)-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 42702868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).