N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide

C15H18N4OS — CID 133298747

IUPACN-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCc1cc(N2CCC(NC(=O)c3ccsc3)CC2)ncn1
InChIInChI=1S/C15H18N4OS/c1-11-8-14(17-10-16-11)19-5-2-13(3-6-19)18-15(20)12-4-7-21-9-12/h4,7-10,13H,2-3,5-6H2,1H3,(H,18,20)
InChIKeyFSCNPTLNZZUONE-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.25
Rot. Bonds3

About N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide

N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 133298747) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID133298747
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
SMILESCc1cc(N2CCC(NC(=O)c3ccsc3)CC2)ncn1
InChIInChI=1S/C15H18N4OS/c1-11-8-14(17-10-16-11)19-5-2-13(3-6-19)18-15(20)12-4-7-21-9-12/h4,7-10,13H,2-3,5-6H2,1H3,(H,18,20)
InChIKeyFSCNPTLNZZUONE-UHFFFAOYSA-N
XLogP2.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-3-carboxamide
CID 133273014
N-[1-[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-3-carboxamide
CID 133273099
N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 133273038
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 129490037
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 86839632
N-[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 128948618
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
CID 95107609
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
N-cyclopentyl-4-(6-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 71795117
N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550268
N-cyclopropyl-2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 133297271

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide (CID 133298747) is N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide is Cc1cc(N2CCC(NC(=O)c3ccsc3)CC2)ncn1.
What is the InChIKey of N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is FSCNPTLNZZUONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11-8-14(17-10-16-11)19-5-2-13(3-6-19)18-15(20)12-4-7-21-9-12/h4,7-10,13H,2-3,5-6H2,1H3,(H,18,20).
What are the key properties of N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide?
N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 133298747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).