[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone

C16H18N2OS — CID 136519932

IUPAC[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C16H18N2OS/c19-16(15-4-2-10-20-15)18-8-5-13(6-9-18)11-14-3-1-7-17-12-14/h1-4,7,10,12-13H,5-6,8-9,11H2
InChIKeyVZNJXCPDPNLTGY-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.24
Rot. Bonds3

About [4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone

[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 136519932) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is [4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID136519932
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C16H18N2OS/c19-16(15-4-2-10-20-15)18-8-5-13(6-9-18)11-14-3-1-7-17-12-14/h1-4,7,10,12-13H,5-6,8-9,11H2
InChIKeyVZNJXCPDPNLTGY-UHFFFAOYSA-N
XLogP3.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-3-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 84528908
(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110874320
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 90521319
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 84512200
(4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 42693568
[2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-2-ylmethanone
CID 131646546
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
[4-(2-aminoethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 154909016
[3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 154911472

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 136519932) is [4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(Cc2cccnc2)CC1.
What is the InChIKey of [4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is VZNJXCPDPNLTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-16(15-4-2-10-20-15)18-8-5-13(6-9-18)11-14-3-1-7-17-12-14/h1-4,7,10,12-13H,5-6,8-9,11H2.
What are the key properties of [4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone?
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 286.40 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 136519932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).