[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone

C19H28N2O3 — CID 136522970

IUPAC[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CCN2CCCCC2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H28N2O3/c1-23-17-7-5-16(6-8-17)9-11-20-10-3-2-4-18(20)19(22)21-12-14-24-15-13-21/h5-8,18H,2-4,9-15H2,1H3
InChIKeyUMIQOEAKTTWRFN-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.95
Rot. Bonds5

About [1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone

[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 136522970) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is [1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone
PubChem CID136522970
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CCN2CCCCC2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H28N2O3/c1-23-17-7-5-16(6-8-17)9-11-20-10-3-2-4-18(20)19(22)21-12-14-24-15-13-21/h5-8,18H,2-4,9-15H2,1H3
InChIKeyUMIQOEAKTTWRFN-UHFFFAOYSA-N
XLogP1.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-[2-(4-methoxyphenyl)ethyl]morpholine-3-carboxamide
CID 97157333
[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95176295
(1-ethylpiperidin-2-yl)-morpholin-4-ylmethanone
CID 142202703
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol
CID 114337924
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
[1-[4-(methoxymethyl)benzoyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 136522845
[1-[4-[2-(morpholine-4-carbonyl)piperidin-1-yl]but-2-ynyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 166220087
3-[2-[(2R)-2-(morpholine-4-carbonyl)piperidin-1-yl]ethoxy]benzonitrile
CID 95176288
[(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95619935
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79370835

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone (CID 136522970) is [1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone is COc1ccc(CCN2CCCCC2C(=O)N2CCOCC2)cc1.
What is the InChIKey of [1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is UMIQOEAKTTWRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-17-7-5-16(6-8-17)9-11-20-10-3-2-4-18(20)19(22)21-12-14-24-15-13-21/h5-8,18H,2-4,9-15H2,1H3.
What are the key properties of [1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone?
[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 332.44 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 136522970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).