(3-ethoxyphenyl)-(2-pyridin-3-ylpiperidin-1-yl)methanone

C19H22N2O2 — CID 2902985

IUPAC(3-ethoxyphenyl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCCOc1cccc(C(=O)N2CCCCC2c2cccnc2)c1
InChIInChI=1S/C19H22N2O2/c1-2-23-17-9-5-7-15(13-17)19(22)21-12-4-3-10-18(21)16-8-6-11-20-14-16/h5-9,11,13-14,18H,2-4,10,12H2,1H3
InChIKeyDPXBKEXXUXUPHQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.85
Rot. Bonds4

About (3-ethoxyphenyl)-(2-pyridin-3-ylpiperidin-1-yl)methanone

(3-ethoxyphenyl)-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 2902985) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID2902985
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(3-ethoxyphenyl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCCOc1cccc(C(=O)N2CCCCC2c2cccnc2)c1
InChIInChI=1S/C19H22N2O2/c1-2-23-17-9-5-7-15(13-17)19(22)21-12-4-3-10-18(21)16-8-6-11-20-14-16/h5-9,11,13-14,18H,2-4,10,12H2,1H3
InChIKeyDPXBKEXXUXUPHQ-UHFFFAOYSA-N
XLogP3.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of (3-ethoxyphenyl)-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 2902985) is (3-ethoxyphenyl)-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-ethoxyphenyl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3-ethoxyphenyl)-(2-pyridin-3-ylpiperidin-1-yl)methanone is CCOc1cccc(C(=O)N2CCCCC2c2cccnc2)c1.
What is the InChIKey of (3-ethoxyphenyl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is DPXBKEXXUXUPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-23-17-9-5-7-15(13-17)19(22)21-12-4-3-10-18(21)16-8-6-11-20-14-16/h5-9,11,13-14,18H,2-4,10,12H2,1H3.
What are the key properties of (3-ethoxyphenyl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
(3-ethoxyphenyl)-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 2902985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).