(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone

C14H18ClNO2 — CID 42656405

IUPAC(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C14H18ClNO2/c1-2-18-13-7-4-8-16(10-13)14(17)11-5-3-6-12(15)9-11/h3,5-6,9,13H,2,4,7-8,10H2,1H3
InChIKeyKJYJXRPOPOSGNX-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.98
Rot. Bonds3

About (3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone

(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone (PubChem CID 42656405) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
PubChem CID42656405
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C14H18ClNO2/c1-2-18-13-7-4-8-16(10-13)14(17)11-5-3-6-12(15)9-11/h3,5-6,9,13H,2,4,7-8,10H2,1H3
InChIKeyKJYJXRPOPOSGNX-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
[1-(3-chlorophenyl)pyrazol-4-yl]-[(3S)-3-ethoxypiperidin-1-yl]methanone
CID 95582875
(3-chlorophenyl)-[(3S)-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223760
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 103892247
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322
[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 54985369
4-(3-ethoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 47736704
(2-amino-3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 115540541
(3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone
CID 47736856
[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 46028783
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone (CID 42656405) is (3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone is CCOC1CCCN(C(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of (3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone?
The InChIKey is KJYJXRPOPOSGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-2-18-13-7-4-8-16(10-13)14(17)11-5-3-6-12(15)9-11/h3,5-6,9,13H,2,4,7-8,10H2,1H3.
What are the key properties of (3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone?
(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone has a molecular weight of 267.76 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 42656405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).