N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide

C17H20N4O2S — CID 38027132

IUPACN-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N1CCN(c2ccncc2)CC1)c1ccsc1
InChIInChI=1S/C17H20N4O2S/c22-16(3-7-19-17(23)14-4-12-24-13-14)21-10-8-20(9-11-21)15-1-5-18-6-2-15/h1-2,4-6,12-13H,3,7-11H2,(H,19,23)
InChIKeyFRYDNDGJYCATAL-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.61
Rot. Bonds5

About N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide

N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide (PubChem CID 38027132) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide
PubChem CID38027132
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N1CCN(c2ccncc2)CC1)c1ccsc1
InChIInChI=1S/C17H20N4O2S/c22-16(3-7-19-17(23)14-4-12-24-13-14)21-10-8-20(9-11-21)15-1-5-18-6-2-15/h1-2,4-6,12-13H,3,7-11H2,(H,19,23)
InChIKeyFRYDNDGJYCATAL-UHFFFAOYSA-N
XLogP1.61
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide
CID 119402669
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 30450778
tert-butyl N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]carbamate
CID 78813690
1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 43355929
N-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 62370593
N-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]thiophene-3-carboxamide
CID 18114940
3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 22945719
N-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 24680213
1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355708
N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 36512324
N-[3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 39979796
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide (CID 38027132) is N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide is O=C(NCCC(=O)N1CCN(c2ccncc2)CC1)c1ccsc1.
What is the InChIKey of N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide?
The InChIKey is FRYDNDGJYCATAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c22-16(3-7-19-17(23)14-4-12-24-13-14)21-10-8-20(9-11-21)15-1-5-18-6-2-15/h1-2,4-6,12-13H,3,7-11H2,(H,19,23).
What are the key properties of N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide?
N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 38027132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).