N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide

C12H17N3O2S — CID 119402669

IUPACN-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N1CCNCC1)c1ccsc1
InChIInChI=1S/C12H17N3O2S/c16-11(15-6-4-13-5-7-15)1-3-14-12(17)10-2-8-18-9-10/h2,8-9,13H,1,3-7H2,(H,14,17)
InChIKeyARMGZFNYHDZNBC-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.30
Rot. Bonds4

About N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide

N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide (PubChem CID 119402669) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide
PubChem CID119402669
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N1CCNCC1)c1ccsc1
InChIInChI=1S/C12H17N3O2S/c16-11(15-6-4-13-5-7-15)1-3-14-12(17)10-2-8-18-9-10/h2,8-9,13H,1,3-7H2,(H,14,17)
InChIKeyARMGZFNYHDZNBC-UHFFFAOYSA-N
XLogP0.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 62370593
N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide
CID 38027132
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 30450778
N-[4-oxo-4-(2-piperazin-1-ylethylamino)butyl]thiophene-3-carboxamide
CID 119446128
N-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 24680213
1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 43355929
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 79028955
N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]thiophene-3-carboxamide
CID 18114940
N-[3-[2-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 43421341
N-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 102738090
N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 28709234

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide?
The IUPAC name of N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide (CID 119402669) is N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide?
The canonical SMILES for N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide is O=C(NCCC(=O)N1CCNCC1)c1ccsc1.
What is the InChIKey of N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide?
The InChIKey is ARMGZFNYHDZNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c16-11(15-6-4-13-5-7-15)1-3-14-12(17)10-2-8-18-9-10/h2,8-9,13H,1,3-7H2,(H,14,17).
What are the key properties of N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide?
N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide is sourced from PubChem (CID 119402669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).