N-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide

C24H29N3O5 — CID 55903055

IUPACN-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CC(NC(C)=O)c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C24H29N3O5/c1-17(28)25-21(18-7-5-4-6-8-18)16-23(29)26-11-13-27(14-12-26)24(30)20-10-9-19(31-2)15-22(20)32-3/h4-10,15,21H,11-14,16H2,1-3H3,(H,25,28)
InChIKeyUVNONJQPVLKOSX-UHFFFAOYSA-N
MW439.51 g/mol
LogP2.26
Rot. Bonds7

About N-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide

N-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide (PubChem CID 55903055) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is N-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
PubChem CID55903055
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC NameN-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CC(NC(C)=O)c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C24H29N3O5/c1-17(28)25-21(18-7-5-4-6-8-18)16-23(29)26-11-13-27(14-12-26)24(30)20-10-9-19(31-2)15-22(20)32-3/h4-10,15,21H,11-14,16H2,1-3H3,(H,25,28)
InChIKeyUVNONJQPVLKOSX-UHFFFAOYSA-N
XLogP2.26
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774
3-[(2,4-dimethoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461179
N-[3-oxo-1-phenyl-3-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propyl]acetamide
CID 86989923
N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 42904870
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
N-[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 55919317
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 55548173
N-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 86933017
4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110812395
(2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one
CID 94636730
1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251493
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119561695

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide?
The IUPAC name of N-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide (CID 55903055) is N-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide.
What is the SMILES notation for N-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide?
The canonical SMILES for N-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide is COc1ccc(C(=O)N2CCN(C(=O)CC(NC(C)=O)c3ccccc3)CC2)c(OC)c1.
What is the InChIKey of N-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide?
The InChIKey is UVNONJQPVLKOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-17(28)25-21(18-7-5-4-6-8-18)16-23(29)26-11-13-27(14-12-26)24(30)20-10-9-19(31-2)15-22(20)32-3/h4-10,15,21H,11-14,16H2,1-3H3,(H,25,28).
What are the key properties of N-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide?
N-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide has a molecular weight of 439.51 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide is sourced from PubChem (CID 55903055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).