N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide

C21H23N3O3S — CID 51206929

IUPACN-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1)NC1CC1
InChIInChI=1S/C21H23N3O3S/c25-19(22-15-7-8-15)14-23-9-11-24(12-10-23)21(27)17-5-2-1-4-16(17)20(26)18-6-3-13-28-18/h1-6,13,15H,7-12,14H2,(H,22,25)
InChIKeyIESZXFLAEGCWEJ-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.02
Rot. Bonds6

About N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 51206929) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID51206929
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1)NC1CC1
InChIInChI=1S/C21H23N3O3S/c25-19(22-15-7-8-15)14-23-9-11-24(12-10-23)21(27)17-5-2-1-4-16(17)20(26)18-6-3-13-28-18/h1-6,13,15H,7-12,14H2,(H,22,25)
InChIKeyIESZXFLAEGCWEJ-UHFFFAOYSA-N
XLogP2.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylcyclohexyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 31991213
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 35372589
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide
CID 36936549
[2-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]-thiophen-2-ylmethanone
CID 56571912
N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491792
N-cyclopropyl-2-[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 51206869
N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide
CID 35373996
N-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide
CID 39465986
2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108551988
N-cyclopropyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 2974463
N-cyclopropyl-4-(thiophene-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 71931543

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide (CID 51206929) is N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is IESZXFLAEGCWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c25-19(22-15-7-8-15)14-23-9-11-24(12-10-23)21(27)17-5-2-1-4-16(17)20(26)18-6-3-13-28-18/h1-6,13,15H,7-12,14H2,(H,22,25).
What are the key properties of N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 397.50 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 51206929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).