4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide

C23H32N4O2S — CID 38391003

IUPAC4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccsc1
InChIInChI=1S/C23H32N4O2S/c1-4-25(5-2)22(20-10-15-30-17-20)16-24-23(29)27-13-11-26(12-14-27)21-8-6-19(7-9-21)18(3)28/h6-10,15,17,22H,4-5,11-14,16H2,1-3H3,(H,24,29)/t22-/m0/s1
InChIKeyWOCSKJMWOJNWDL-QFIPXVFZSA-N
MW428.60 g/mol
LogP3.87
Rot. Bonds8

About 4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide

4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide (PubChem CID 38391003) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide
PubChem CID38391003
Molecular FormulaC23H32N4O2S
Molecular Weight428.60 g/mol
Exact Mass428.22
IUPAC Name4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccsc1
InChIInChI=1S/C23H32N4O2S/c1-4-25(5-2)22(20-10-15-30-17-20)16-24-23(29)27-13-11-26(12-14-27)21-8-6-19(7-9-21)18(3)28/h6-10,15,17,22H,4-5,11-14,16H2,1-3H3,(H,24,29)/t22-/m0/s1
InChIKeyWOCSKJMWOJNWDL-QFIPXVFZSA-N
XLogP3.87
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]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

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 47030817
4-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1,4-diazepane-1-carboxamide
CID 94030978
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 166251761
4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide
CID 110962529
(2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide
CID 94172389
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55660182
4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104075
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
CID 47056166
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1,3-dihydroisoindole-2-carboxamide;hydrochloride
CID 134307213
1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
CID 119849782
1-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51953978
1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2-hydroxycyclohexyl)urea
CID 110933262

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide (CID 38391003) is 4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide is CCN(CC)[C@@H](CNC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccsc1.
What is the InChIKey of 4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide?
The InChIKey is WOCSKJMWOJNWDL-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-4-25(5-2)22(20-10-15-30-17-20)16-24-23(29)27-13-11-26(12-14-27)21-8-6-19(7-9-21)18(3)28/h6-10,15,17,22H,4-5,11-14,16H2,1-3H3,(H,24,29)/t22-/m0/s1.
What are the key properties of 4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide?
4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 38391003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).