[5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone

C19H22N2O3S — CID 72842150

IUPAC[5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(C2CCCO2)s1)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C19H22N2O3S/c22-19(18-4-3-17(25-18)16-2-1-13-23-16)21-11-7-15(8-12-21)24-14-5-9-20-10-6-14/h3-6,9-10,15-16H,1-2,7-8,11-13H2
InChIKeyWEPPMNDXEAIWJH-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.68
Rot. Bonds4

About [5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone

[5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone (PubChem CID 72842150) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is [5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
PubChem CID72842150
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name[5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(C2CCCO2)s1)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C19H22N2O3S/c22-19(18-4-3-17(25-18)16-2-1-13-23-16)21-11-7-15(8-12-21)24-14-5-9-20-10-6-14/h3-6,9-10,15-16H,1-2,7-8,11-13H2
InChIKeyWEPPMNDXEAIWJH-UHFFFAOYSA-N
XLogP3.68
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-oxa-8-azaspiro[4.5]decan-8-yl-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
CID 95525281
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
CID 95131723
1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 91815946
[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methanone
CID 97155054
[4-(4-methylphenoxy)piperidin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 70757931
1H-pyrazol-4-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 131929770
(4-pyridin-4-ylpiperidin-1-yl)-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
CID 70713179
N-(cyclohexylmethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide
CID 119070282
5-[5-[(2R)-oxolan-2-yl]thiophene-2-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile
CID 95126713
(4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone
CID 166377495
4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid
CID 123525099
piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone
CID 72924715

Frequently Asked Questions

What is the IUPAC name of [5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of [5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone (CID 72842150) is [5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone is O=C(c1ccc(C2CCCO2)s1)N1CCC(Oc2ccncc2)CC1.
What is the InChIKey of [5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is WEPPMNDXEAIWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-19(18-4-3-17(25-18)16-2-1-13-23-16)21-11-7-15(8-12-21)24-14-5-9-20-10-6-14/h3-6,9-10,15-16H,1-2,7-8,11-13H2.
What are the key properties of [5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
[5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 358.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxolan-2-yl)thiophen-2-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 72842150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).