N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide

C23H29N3O2 — CID 42916797

IUPACN-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C)N2CCN(Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-17-5-4-6-20(15-17)16-25-11-13-26(14-12-25)18(2)23(28)21-7-9-22(10-8-21)24-19(3)27/h4-10,15,18H,11-14,16H2,1-3H3,(H,24,27)
InChIKeyCOWZCRXQYDVFQE-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.34
Rot. Bonds6

About N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide

N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide (PubChem CID 42916797) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide
PubChem CID42916797
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C)N2CCN(Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-17-5-4-6-20(15-17)16-25-11-13-26(14-12-25)18(2)23(28)21-7-9-22(10-8-21)24-19(3)27/h4-10,15,18H,11-14,16H2,1-3H3,(H,24,27)
InChIKeyCOWZCRXQYDVFQE-UHFFFAOYSA-N
XLogP3.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9266285
(2R)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-prop-2-enylpropanamide
CID 34892541
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266134
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-(3-nitrophenyl)propanamide
CID 46807813
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680
(2S)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266113
(2R)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266116
N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106879
(2R)-N-cyclopentyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266173
N-methyl-4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 8597810
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266339
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266337

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide (CID 42916797) is N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)C(C)N2CCN(Cc3cccc(C)c3)CC2)cc1.
What is the InChIKey of N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide?
The InChIKey is COWZCRXQYDVFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-5-4-6-20(15-17)16-25-11-13-26(14-12-25)18(2)23(28)21-7-9-22(10-8-21)24-19(3)27/h4-10,15,18H,11-14,16H2,1-3H3,(H,24,27).
What are the key properties of N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide?
N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanoyl]phenyl]acetamide is sourced from PubChem (CID 42916797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).