[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-cyclohex-3-en-1-ylmethanone

C17H21ClN2O2 — CID 71798951

IUPAC[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-cyclohex-3-en-1-ylmethanone
SMILESO=C(C1CC=CCC1)N1CCC(Oc2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H21ClN2O2/c18-14-6-7-16(19-12-14)22-15-8-10-20(11-9-15)17(21)13-4-2-1-3-5-13/h1-2,6-7,12-13,15H,3-5,8-11H2
InChIKeySXRWDAAWPWFIKE-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.46
Rot. Bonds3

About [4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-cyclohex-3-en-1-ylmethanone

[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-cyclohex-3-en-1-ylmethanone (PubChem CID 71798951) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is [4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-cyclohex-3-en-1-ylmethanone.

Molecular Properties

Compound Name[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-cyclohex-3-en-1-ylmethanone
PubChem CID71798951
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-cyclohex-3-en-1-ylmethanone
SMILESO=C(C1CC=CCC1)N1CCC(Oc2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H21ClN2O2/c18-14-6-7-16(19-12-14)22-15-8-10-20(11-9-15)17(21)13-4-2-1-3-5-13/h1-2,6-7,12-13,15H,3-5,8-11H2
InChIKeySXRWDAAWPWFIKE-UHFFFAOYSA-N
XLogP3.46
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-cyclohex-3-en-1-ylmethanone?
The IUPAC name of [4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-cyclohex-3-en-1-ylmethanone (CID 71798951) is [4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-cyclohex-3-en-1-ylmethanone.
What is the SMILES notation for [4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-cyclohex-3-en-1-ylmethanone?
The canonical SMILES for [4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-cyclohex-3-en-1-ylmethanone is O=C(C1CC=CCC1)N1CCC(Oc2ccc(Cl)cn2)CC1.
What is the InChIKey of [4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-cyclohex-3-en-1-ylmethanone?
The InChIKey is SXRWDAAWPWFIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c18-14-6-7-16(19-12-14)22-15-8-10-20(11-9-15)17(21)13-4-2-1-3-5-13/h1-2,6-7,12-13,15H,3-5,8-11H2.
What are the key properties of [4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-cyclohex-3-en-1-ylmethanone?
[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-cyclohex-3-en-1-ylmethanone has a molecular weight of 320.82 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-cyclohex-3-en-1-ylmethanone is sourced from PubChem (CID 71798951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).