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

C22H27N3O3 — CID 35228408

IUPAC2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1cccc(C(=O)N2CCN(CC(=O)NCc3ccc(C)cc3)CC2)c1
InChIInChI=1S/C22H27N3O3/c1-17-6-8-18(9-7-17)15-23-21(26)16-24-10-12-25(13-11-24)22(27)19-4-3-5-20(14-19)28-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26)
InChIKeyJCVCBMRISQNRNV-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.08
Rot. Bonds6

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

2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 35228408) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID35228408
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1cccc(C(=O)N2CCN(CC(=O)NCc3ccc(C)cc3)CC2)c1
InChIInChI=1S/C22H27N3O3/c1-17-6-8-18(9-7-17)15-23-21(26)16-24-10-12-25(13-11-24)22(27)19-4-3-5-20(14-19)28-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26)
InChIKeyJCVCBMRISQNRNV-UHFFFAOYSA-N
XLogP2.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 86923582
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 35229915
N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227342
N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 60512190
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
methyl 3-[4-[2-(benzylamino)-2-oxoethyl]-1,4-diazepane-1-carbonyl]benzoate
CID 3853869
1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117125
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372
N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227706
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 37375142
N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35228132

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 35228408) is 2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is COc1cccc(C(=O)N2CCN(CC(=O)NCc3ccc(C)cc3)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is JCVCBMRISQNRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17-6-8-18(9-7-17)15-23-21(26)16-24-10-12-25(13-11-24)22(27)19-4-3-5-20(14-19)28-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 35228408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).