N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide

C18H22N4O2S — CID 55483676

IUPACN-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(Cc2cccnc2)CC1)c1cccs1
InChIInChI=1S/C18H22N4O2S/c23-17(5-7-20-18(24)16-4-2-12-25-16)22-10-8-21(9-11-22)14-15-3-1-6-19-13-15/h1-4,6,12-13H,5,7-11,14H2,(H,20,24)
InChIKeyDRAFREHJFCJGBB-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.61
Rot. Bonds6

About N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide

N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide (PubChem CID 55483676) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
PubChem CID55483676
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
SMILESO=C(NCCC(=O)N1CCN(Cc2cccnc2)CC1)c1cccs1
InChIInChI=1S/C18H22N4O2S/c23-17(5-7-20-18(24)16-4-2-12-25-16)22-10-8-21(9-11-22)14-15-3-1-6-19-13-15/h1-4,6,12-13H,5,7-11,14H2,(H,20,24)
InChIKeyDRAFREHJFCJGBB-UHFFFAOYSA-N
XLogP1.61
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 51180610
N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide
CID 125155019
N-[4-oxo-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butyl]furan-2-carboxamide
CID 134045130
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 78794624
3-pyridin-3-yl-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 70733613
N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide
CID 44995257
1-(4-ethylpiperazin-1-yl)-3-(pyridin-3-ylmethylamino)propan-1-one
CID 109017464
3-(4-chloropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 19572708
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
[2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-2-ylmethanone
CID 131646546
N-(pyridin-3-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 84528908
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide (CID 55483676) is N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide is O=C(NCCC(=O)N1CCN(Cc2cccnc2)CC1)c1cccs1.
What is the InChIKey of N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide?
The InChIKey is DRAFREHJFCJGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c23-17(5-7-20-18(24)16-4-2-12-25-16)22-10-8-21(9-11-22)14-15-3-1-6-19-13-15/h1-4,6,12-13H,5,7-11,14H2,(H,20,24).
What are the key properties of N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide?
N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 1.61, 6 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-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 55483676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).