[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone

C15H21NO3S — CID 86788515

IUPAC[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(OCC2CCOC2)CC1
InChIInChI=1S/C15H21NO3S/c17-15(13-4-8-20-11-13)16-5-1-14(2-6-16)19-10-12-3-7-18-9-12/h4,8,11-12,14H,1-3,5-7,9-10H2
InChIKeyKXYALVAZCOLADE-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.41
Rot. Bonds4

About [4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone

[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 86788515) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is [4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID86788515
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(OCC2CCOC2)CC1
InChIInChI=1S/C15H21NO3S/c17-15(13-4-8-20-11-13)16-5-1-14(2-6-16)19-10-12-3-7-18-9-12/h4,8,11-12,14H,1-3,5-7,9-10H2
InChIKeyKXYALVAZCOLADE-UHFFFAOYSA-N
XLogP2.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

indolizin-2-yl-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methanone
CID 75477133
(3-chloro-2-methylphenyl)-[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methanone
CID 100703567
2-cyclobutyl-1-[4-[[(3S)-oxolan-3-yl]methoxy]piperidin-1-yl]ethanone
CID 99782856
2-(3,4-difluorophenyl)-1-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]ethanone
CID 75503659
[3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone
CID 71785831
(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone
CID 91907726
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70732293
(4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 138024622
[(3aR,6aS)-1-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-thiophen-3-ylmethanone
CID 97459002
[(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone
CID 124793376
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone
CID 71785102
thiophen-3-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786843

Frequently Asked Questions

What is the IUPAC name of [4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone (CID 86788515) is [4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC(OCC2CCOC2)CC1.
What is the InChIKey of [4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is KXYALVAZCOLADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c17-15(13-4-8-20-11-13)16-5-1-14(2-6-16)19-10-12-3-7-18-9-12/h4,8,11-12,14H,1-3,5-7,9-10H2.
What are the key properties of [4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone?
[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 295.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolan-3-ylmethoxy)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 86788515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).