N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide

C21H26N4O2S — CID 30691790

IUPACN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C21H26N4O2S/c26-20-4-1-9-25(20)18-7-5-17(6-8-18)15-22-21(27)24-12-10-23(11-13-24)16-19-3-2-14-28-19/h2-3,5-8,14H,1,4,9-13,15-16H2,(H,22,27)
InChIKeyBBLBMTICAOCODV-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.90
Rot. Bonds5

About N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 30691790) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
PubChem CID30691790
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C21H26N4O2S/c26-20-4-1-9-25(20)18-7-5-17(6-8-18)15-22-21(27)24-12-10-23(11-13-24)16-19-3-2-14-28-19/h2-3,5-8,14H,1,4,9-13,15-16H2,(H,22,27)
InChIKeyBBLBMTICAOCODV-UHFFFAOYSA-N
XLogP2.90
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)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-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 86879794
4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2439556
N-[[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756708
4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 86879934
N-[2-oxo-2-[[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 8589532
1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43229073
(1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 125160348
N-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185585
4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 30691880
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185587
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide (CID 30691790) is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide is O=C(NCc1ccc(N2CCCC2=O)cc1)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is BBLBMTICAOCODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c26-20-4-1-9-25(20)18-7-5-17(6-8-18)15-22-21(27)24-12-10-23(11-13-24)16-19-3-2-14-28-19/h2-3,5-8,14H,1,4,9-13,15-16H2,(H,22,27).
What are the key properties of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 30691790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).