[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone

C20H27ClN2O3 — CID 72873323

IUPAC[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1)N1CC(O)C1
InChIInChI=1S/C20H27ClN2O3/c21-14-5-6-19(18(11-14)20(25)23-12-16(24)13-23)26-17-7-9-22(10-8-17)15-3-1-2-4-15/h5-6,11,15-17,24H,1-4,7-10,12-13H2
InChIKeyHAAJDZYUPOYPPI-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.94
Rot. Bonds4

About [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone

[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 72873323) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID72873323
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1)N1CC(O)C1
InChIInChI=1S/C20H27ClN2O3/c21-14-5-6-19(18(11-14)20(25)23-12-16(24)13-23)26-17-7-9-22(10-8-17)15-3-1-2-4-15/h5-6,11,15-17,24H,1-4,7-10,12-13H2
InChIKeyHAAJDZYUPOYPPI-UHFFFAOYSA-N
XLogP2.94
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone
CID 42384375
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(4-hydroxycyclohexyl)benzamide
CID 25279312
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxyethyl)benzamide
CID 72902039
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide
CID 26320596
(3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid
CID 99623082
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-methyl-N-(oxan-4-yl)benzamide
CID 26321796
[2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxyphenyl]-(4-methoxypiperidin-1-yl)methanone
CID 26407325
(2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid
CID 125118569
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
(5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119625007
(5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546509
(5-chloro-2-methoxyphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617163

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone (CID 72873323) is [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone is O=C(c1cc(Cl)ccc1OC1CCN(C2CCCC2)CC1)N1CC(O)C1.
What is the InChIKey of [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is HAAJDZYUPOYPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c21-14-5-6-19(18(11-14)20(25)23-12-16(24)13-23)26-17-7-9-22(10-8-17)15-3-1-2-4-15/h5-6,11,15-17,24H,1-4,7-10,12-13H2.
What are the key properties of [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone?
[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 378.90 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 72873323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).