[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone

C22H28N2O2S — CID 171142512

IUPAC[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCC(C)N1CC(Oc2ccccc2)C1C1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C22H28N2O2S/c1-16(2)24-14-20(26-19-6-4-3-5-7-19)21(24)17-8-11-23(12-9-17)22(25)18-10-13-27-15-18/h3-7,10,13,15-17,20-21H,8-9,11-12,14H2,1-2H3
InChIKeyWPSQYHRBHOGTQU-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.14
Rot. Bonds5

About [4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone

[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 171142512) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is [4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID171142512
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCC(C)N1CC(Oc2ccccc2)C1C1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C22H28N2O2S/c1-16(2)24-14-20(26-19-6-4-3-5-7-19)21(24)17-8-11-23(12-9-17)22(25)18-10-13-27-15-18/h3-7,10,13,15-17,20-21H,8-9,11-12,14H2,1-2H3
InChIKeyWPSQYHRBHOGTQU-UHFFFAOYSA-N
XLogP4.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]methanone
CID 171142540
2-(1-acetylpiperidin-4-yl)-1-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]ethanone
CID 171142536
2-(3-methylpyrazol-1-yl)-1-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]ethanone
CID 171142553
thiophen-3-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786843
(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-thiophen-3-ylmethanone
CID 119104349
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
4-benzyl-1-(thiophene-3-carbonyl)-1,4-diazepan-5-one
CID 26360657
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70732293
(2R)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298897
(2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298879
2-[4-(thiophene-3-carbonyl)piperazin-1-yl]propanethioamide
CID 55201014
(4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 138024622

Frequently Asked Questions

What is the IUPAC name of [4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone (CID 171142512) is [4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone is CC(C)N1CC(Oc2ccccc2)C1C1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of [4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is WPSQYHRBHOGTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-16(2)24-14-20(26-19-6-4-3-5-7-19)21(24)17-8-11-23(12-9-17)22(25)18-10-13-27-15-18/h3-7,10,13,15-17,20-21H,8-9,11-12,14H2,1-2H3.
What are the key properties of [4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 384.55 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 171142512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).