N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide

C15H18N4O2S — CID 133273038

IUPACN-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCOc1ccnc(N2CCC(NC(=O)c3ccsc3)CC2)n1
InChIInChI=1S/C15H18N4O2S/c1-21-13-2-6-16-15(18-13)19-7-3-12(4-8-19)17-14(20)11-5-9-22-10-11/h2,5-6,9-10,12H,3-4,7-8H2,1H3,(H,17,20)
InChIKeyAVNSRNCFHXFCCY-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.95
Rot. Bonds4

About N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide

N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 133273038) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID133273038
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCOc1ccnc(N2CCC(NC(=O)c3ccsc3)CC2)n1
InChIInChI=1S/C15H18N4O2S/c1-21-13-2-6-16-15(18-13)19-7-3-12(4-8-19)17-14(20)11-5-9-22-10-11/h2,5-6,9-10,12H,3-4,7-8H2,1H3,(H,17,20)
InChIKeyAVNSRNCFHXFCCY-UHFFFAOYSA-N
XLogP1.95
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 95107609
N-(2,6-dimethoxy-3-pyridinyl)-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
CID 136579408
N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 133298747
N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-3-carboxamide
CID 133273014
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62591605
N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 31895955
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide
CID 133273015
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
1-(4-fluorophenyl)-3-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]urea
CID 94818794
2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712543
N-[6-(4-methoxypyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128971972

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide (CID 133273038) is N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide is COc1ccnc(N2CCC(NC(=O)c3ccsc3)CC2)n1.
What is the InChIKey of N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is AVNSRNCFHXFCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-21-13-2-6-16-15(18-13)19-7-3-12(4-8-19)17-14(20)11-5-9-22-10-11/h2,5-6,9-10,12H,3-4,7-8H2,1H3,(H,17,20).
What are the key properties of N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide?
N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 133273038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).