2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide

C21H34N4O3 — CID 134019664

IUPAC2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCCC(C)NC(=O)CN1CCN(C(C)C(=O)NCc2cccc(OC)c2)CC1
InChIInChI=1S/C21H34N4O3/c1-5-16(2)23-20(26)15-24-9-11-25(12-10-24)17(3)21(27)22-14-18-7-6-8-19(13-18)28-4/h6-8,13,16-17H,5,9-12,14-15H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyLSURLKTWOWIEPV-UHFFFAOYSA-N
MW390.53 g/mol
LogP1.23
Rot. Bonds9

About 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide

2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 134019664) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID134019664
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Name2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCCC(C)NC(=O)CN1CCN(C(C)C(=O)NCc2cccc(OC)c2)CC1
InChIInChI=1S/C21H34N4O3/c1-5-16(2)23-20(26)15-24-9-11-25(12-10-24)17(3)21(27)22-14-18-7-6-8-19(13-18)28-4/h6-8,13,16-17H,5,9-12,14-15H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyLSURLKTWOWIEPV-UHFFFAOYSA-N
XLogP1.23
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide 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

N-butan-2-yl-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043738
(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 31933904
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 134045480
N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
CID 55565579
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 46561331
N-[(3-methoxyphenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 55525118
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 55471088
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 55526128
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide (CID 134019664) is 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide is CCC(C)NC(=O)CN1CCN(C(C)C(=O)NCc2cccc(OC)c2)CC1.
What is the InChIKey of 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is LSURLKTWOWIEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-5-16(2)23-20(26)15-24-9-11-25(12-10-24)17(3)21(27)22-14-18-7-6-8-19(13-18)28-4/h6-8,13,16-17H,5,9-12,14-15H2,1-4H3,(H,22,27)(H,23,26).
What are the key properties of 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 390.53 g/mol, XLogP of 1.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 134019664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).