2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide

C21H25N3O3 — CID 35231408

IUPAC2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)N(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-22(18-6-4-3-5-7-18)20(25)16-23-12-14-24(15-13-23)21(26)17-8-10-19(27-2)11-9-17/h3-11H,12-16H2,1-2H3
InChIKeyRYWSLZRPMPAJCV-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.12
Rot. Bonds5

About 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide

2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 35231408) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
PubChem CID35231408
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)N(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-22(18-6-4-3-5-7-18)20(25)16-23-12-14-24(15-13-23)21(26)17-8-10-19(27-2)11-9-17/h3-11H,12-16H2,1-2H3
InChIKeyRYWSLZRPMPAJCV-UHFFFAOYSA-N
XLogP2.12
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 9129867
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
N-methyl-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 35251820
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
(4-methoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 704389
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937139
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1112858
3-(4-benzoylpiperazin-1-yl)-1-[4-(4-methoxyphenoxy)phenyl]propan-1-one;dihydrochloride
CID 18362769
[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1119141

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide (CID 35231408) is 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide is COc1ccc(C(=O)N2CCN(CC(=O)N(C)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is RYWSLZRPMPAJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-22(18-6-4-3-5-7-18)20(25)16-23-12-14-24(15-13-23)21(26)17-8-10-19(27-2)11-9-17/h3-11H,12-16H2,1-2H3.
What are the key properties of 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide?
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 367.45 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 35231408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).