ethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate

C21H34N4O3 — CID 55694708

IUPACethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)NCC(C)N1CCN(c2ccccc2)CC1)C(C)C
InChIInChI=1S/C21H34N4O3/c1-5-28-21(27)23-19(16(2)3)20(26)22-15-17(4)24-11-13-25(14-12-24)18-9-7-6-8-10-18/h6-10,16-17,19H,5,11-15H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyCKXQUFFPXGLIPO-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.08
Rot. Bonds8

About ethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate

ethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate (PubChem CID 55694708) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is ethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate
PubChem CID55694708
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Nameethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)NCC(C)N1CCN(c2ccccc2)CC1)C(C)C
InChIInChI=1S/C21H34N4O3/c1-5-28-21(27)23-19(16(2)3)20(26)22-15-17(4)24-11-13-25(14-12-24)18-9-7-6-8-10-18/h6-10,16-17,19H,5,11-15H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyCKXQUFFPXGLIPO-UHFFFAOYSA-N
XLogP2.08
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate 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-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
ethyl N-[1-[4-(azepan-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55650062
ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
CID 42897624
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 60553736
2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55694971
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
4-amino-3-methoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120597574
N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317
2-methyl-1-(3-methylbutan-2-yl)-3-[2-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111001255
ethyl N-[1-(4-benzhydrylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 55648114
ethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 55648266

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate?
The IUPAC name of ethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate (CID 55694708) is ethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate?
The canonical SMILES for ethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate is CCOC(=O)NC(C(=O)NCC(C)N1CCN(c2ccccc2)CC1)C(C)C.
What is the InChIKey of ethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate?
The InChIKey is CKXQUFFPXGLIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-5-28-21(27)23-19(16(2)3)20(26)22-15-17(4)24-11-13-25(14-12-24)18-9-7-6-8-10-18/h6-10,16-17,19H,5,11-15H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of ethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate?
ethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate has a molecular weight of 390.53 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-methyl-1-oxo-1-[2-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]carbamate is sourced from PubChem (CID 55694708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).