4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide

C23H30N4O4 — CID 71829832

IUPAC4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C23H30N4O4/c1-17(22(28)25-20-10-9-19(30-2)15-21(20)31-3)24-23(29)27-13-11-26(12-14-27)16-18-7-5-4-6-8-18/h4-10,15,17H,11-14,16H2,1-3H3,(H,24,29)(H,25,28)/t17-/m0/s1
InChIKeyQESUCVCNEYNDKK-KRWDZBQOSA-N
MW426.52 g/mol
LogP2.56
Rot. Bonds7

About 4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide

4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide (PubChem CID 71829832) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
PubChem CID71829832
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C23H30N4O4/c1-17(22(28)25-20-10-9-19(30-2)15-21(20)31-3)24-23(29)27-13-11-26(12-14-27)16-18-7-5-4-6-8-18/h4-10,15,17H,11-14,16H2,1-3H3,(H,24,29)(H,25,28)/t17-/m0/s1
InChIKeyQESUCVCNEYNDKK-KRWDZBQOSA-N
XLogP2.56
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-N-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 71829739
N-(2,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 6464385
4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 97038502
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide
CID 44892029
N-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-4-benzylpiperazine-1-carboxamide
CID 71829663
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 53098611
N-(2,4-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990292
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 22691240
4-benzyl-N-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 42415106
2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(2-methoxyphenyl)propanamide
CID 55382048

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide (CID 71829832) is 4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide is COc1ccc(NC(=O)[C@H](C)NC(=O)N2CCN(Cc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of 4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide?
The InChIKey is QESUCVCNEYNDKK-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-17(22(28)25-20-10-9-19(30-2)15-21(20)31-3)24-23(29)27-13-11-26(12-14-27)16-18-7-5-4-6-8-18/h4-10,15,17H,11-14,16H2,1-3H3,(H,24,29)(H,25,28)/t17-/m0/s1.
What are the key properties of 4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide?
4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(2S)-1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 71829832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).