N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide

C24H31N3O3 — CID 42904601

IUPACN-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
SMILESCOc1cccc(N2CCN(C(=O)C(NC(=O)Cc3ccccc3)C(C)C)CC2)c1
InChIInChI=1S/C24H31N3O3/c1-18(2)23(25-22(28)16-19-8-5-4-6-9-19)24(29)27-14-12-26(13-15-27)20-10-7-11-21(17-20)30-3/h4-11,17-18,23H,12-16H2,1-3H3,(H,25,28)
InChIKeyHBCICZFLNPBULV-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.73
Rot. Bonds7

About N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide

N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide (PubChem CID 42904601) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
PubChem CID42904601
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
SMILESCOc1cccc(N2CCN(C(=O)C(NC(=O)Cc3ccccc3)C(C)C)CC2)c1
InChIInChI=1S/C24H31N3O3/c1-18(2)23(25-22(28)16-19-8-5-4-6-9-19)24(29)27-14-12-26(13-15-27)20-10-7-11-21(17-20)30-3/h4-11,17-18,23H,12-16H2,1-3H3,(H,25,28)
InChIKeyHBCICZFLNPBULV-UHFFFAOYSA-N
XLogP2.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide with MolForge

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Related Compounds

4-fluoro-N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9268556
N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 38574785
N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9036546
1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-4-carboxylic acid
CID 119166665
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide;hydrochloride
CID 119373353
N-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9041445
4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80542376
4-hydroxy-1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-4-carboxylic acid
CID 119251773
(E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 51161508
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
N-[1-[4-(furan-3-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 134021905

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide?
The IUPAC name of N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide (CID 42904601) is N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide is COc1cccc(N2CCN(C(=O)C(NC(=O)Cc3ccccc3)C(C)C)CC2)c1.
What is the InChIKey of N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide?
The InChIKey is HBCICZFLNPBULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18(2)23(25-22(28)16-19-8-5-4-6-9-19)24(29)27-14-12-26(13-15-27)20-10-7-11-21(17-20)30-3/h4-11,17-18,23H,12-16H2,1-3H3,(H,25,28).
What are the key properties of N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide?
N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide has a molecular weight of 409.53 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 42904601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).