[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone

C14H16ClNO3 — CID 154879916

IUPAC[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone
SMILESO=C(C1CO1)N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C14H16ClNO3/c15-11-3-1-2-4-12(11)19-10-5-7-16(8-6-10)14(17)13-9-18-13/h1-4,10,13H,5-9H2
InChIKeyJIVLHXAXRDXMJR-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.11
Rot. Bonds3

About [4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone

[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone (PubChem CID 154879916) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is [4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone
PubChem CID154879916
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone
SMILESO=C(C1CO1)N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C14H16ClNO3/c15-11-3-1-2-4-12(11)19-10-5-7-16(8-6-10)14(17)13-9-18-13/h1-4,10,13H,5-9H2
InChIKeyJIVLHXAXRDXMJR-UHFFFAOYSA-N
XLogP2.11
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone
CID 91800796
2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
CID 66875568
4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 70732695
(4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 97112468
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 70718116
(2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 95861244
[4-(2-chlorophenoxy)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 75388459
(2-chlorophenyl) oxirane-2-carboxylate
CID 87937110
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-morpholin-2-ylethanone
CID 70786895
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 70715112
(2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one
CID 124593505
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzaldehyde
CID 167146390

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone?
The IUPAC name of [4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone (CID 154879916) is [4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone.
What is the SMILES notation for [4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone?
The canonical SMILES for [4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone is O=C(C1CO1)N1CCC(Oc2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone?
The InChIKey is JIVLHXAXRDXMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-11-3-1-2-4-12(11)19-10-5-7-16(8-6-10)14(17)13-9-18-13/h1-4,10,13H,5-9H2.
What are the key properties of [4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone?
[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone has a molecular weight of 281.74 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone is sourced from PubChem (CID 154879916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).