2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide

C24H38N4O2 — CID 55432148

IUPAC2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C24H38N4O2/c1-3-26(4-2)24(30)23(21-12-8-7-9-13-21)28-18-16-25(17-19-28)20-22(29)27-14-10-5-6-11-15-27/h7-9,12-13,23H,3-6,10-11,14-20H2,1-2H3
InChIKeyNGFQYDIWDXVYKE-UHFFFAOYSA-N
MW414.59 g/mol
LogP2.62
Rot. Bonds7

About 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide

2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide (PubChem CID 55432148) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
PubChem CID55432148
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(CC(=O)N2CCCCCC2)CC1
InChIInChI=1S/C24H38N4O2/c1-3-26(4-2)24(30)23(21-12-8-7-9-13-21)28-18-16-25(17-19-28)20-22(29)27-14-10-5-6-11-15-27/h7-9,12-13,23H,3-6,10-11,14-20H2,1-2H3
InChIKeyNGFQYDIWDXVYKE-UHFFFAOYSA-N
XLogP2.62
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide 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,N-diethyl-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
CID 55498439
N,N-diethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylacetamide
CID 55410522
N,N-diethyl-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 55469592
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 55432084
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 46662933
(2S)-N-cyclopropyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylacetamide
CID 30959081
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 55412944
1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 35610560
(2S)-N,N-diethyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 30776820
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid
CID 42651044
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-phenylpropanamide
CID 30738137
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)propanamide
CID 30741193

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The IUPAC name of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide (CID 55432148) is 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The canonical SMILES for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide is CCN(CC)C(=O)C(c1ccccc1)N1CCN(CC(=O)N2CCCCCC2)CC1.
What is the InChIKey of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The InChIKey is NGFQYDIWDXVYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-3-26(4-2)24(30)23(21-12-8-7-9-13-21)28-18-16-25(17-19-28)20-22(29)27-14-10-5-6-11-15-27/h7-9,12-13,23H,3-6,10-11,14-20H2,1-2H3.
What are the key properties of 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide has a molecular weight of 414.59 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide is sourced from PubChem (CID 55432148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).