N-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide

C23H28N4O3S — CID 39461786

IUPACN-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C23H28N4O3S/c1-24(23(30)20-9-6-16-31-20)19-8-3-2-7-18(19)22(29)27-14-12-25(13-15-27)17-21(28)26-10-4-5-11-26/h2-3,6-9,16H,4-5,10-15,17H2,1H3
InChIKeyRXEBJAXKGVJGLI-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.40
Rot. Bonds5

About N-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide

N-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide (PubChem CID 39461786) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
PubChem CID39461786
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)c1ccccc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C23H28N4O3S/c1-24(23(30)20-9-6-16-31-20)19-8-3-2-7-18(19)22(29)27-14-12-25(13-15-27)17-21(28)26-10-4-5-11-26/h2-3,6-9,16H,4-5,10-15,17H2,1H3
InChIKeyRXEBJAXKGVJGLI-UHFFFAOYSA-N
XLogP2.40
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-N-methylthiophene-2-carboxamide
CID 35707422
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide
CID 55529394
N-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55966598
N-[2-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-N-methylthiophene-2-carboxamide
CID 134701671
N-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]-N-methylthiophene-2-carboxamide
CID 120815960
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 78894079
2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 86906764
2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543126
1-(azepan-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 78808495
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 17428471
(2-methylphenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798106
2-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 86959322

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide (CID 39461786) is N-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide is CN(C(=O)c1cccs1)c1ccccc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of N-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The InChIKey is RXEBJAXKGVJGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-24(23(30)20-9-6-16-31-20)19-8-3-2-7-18(19)22(29)27-14-12-25(13-15-27)17-21(28)26-10-4-5-11-26/h2-3,6-9,16H,4-5,10-15,17H2,1H3.
What are the key properties of N-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide?
N-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 39461786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).