(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone

C21H24ClNO3 — CID 2302016

IUPAC(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone
SMILESCCOc1cc(C(=O)N2CCCCC2)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C21H24ClNO3/c1-2-25-19-14-17(21(24)23-11-7-4-8-12-23)13-18(22)20(19)26-15-16-9-5-3-6-10-16/h3,5-6,9-10,13-14H,2,4,7-8,11-12,15H2,1H3
InChIKeyGNHXEXYSCIMOBH-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.94
Rot. Bonds6

About (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone

(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone (PubChem CID 2302016) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone
PubChem CID2302016
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone
SMILESCCOc1cc(C(=O)N2CCCCC2)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C21H24ClNO3/c1-2-25-19-14-17(21(24)23-11-7-4-8-12-23)13-18(22)20(19)26-15-16-9-5-3-6-10-16/h3,5-6,9-10,13-14H,2,4,7-8,11-12,15H2,1H3
InChIKeyGNHXEXYSCIMOBH-UHFFFAOYSA-N
XLogP4.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-butoxy-3-chloro-5-ethoxyphenyl)-piperidin-1-ylmethanone
CID 112759341
3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride
CID 91682357
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
azetidin-1-yl-(3-chloro-5-ethoxy-4-propoxyphenyl)methanone
CID 78805812
[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-piperidin-1-ylmethanethione
CID 4042855
(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
CID 95970604
3-chloro-5-ethoxy-4-phenylmethoxybenzenecarbothioamide
CID 22685956
2-[4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440122
(3S)-1-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113678
4-[(3-bromophenyl)methoxy]-3-chloro-5-ethoxybenzoic acid
CID 91683362
azepan-1-yl-(3-bromo-4-phenylmethoxyphenyl)methanone
CID 54793468
[4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 33141139

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone (CID 2302016) is (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone is CCOc1cc(C(=O)N2CCCCC2)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone?
The InChIKey is GNHXEXYSCIMOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3/c1-2-25-19-14-17(21(24)23-11-7-4-8-12-23)13-18(22)20(19)26-15-16-9-5-3-6-10-16/h3,5-6,9-10,13-14H,2,4,7-8,11-12,15H2,1H3.
What are the key properties of (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone?
(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone has a molecular weight of 373.88 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 2302016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).