(4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

C19H27ClN2O3 — CID 70752772

IUPAC(4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCOc1cc(Cl)ccc1C(=O)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C19H27ClN2O3/c1-24-18-14-15(20)5-6-17(18)19(23)22-8-3-2-4-16(22)7-9-21-10-12-25-13-11-21/h5-6,14,16H,2-4,7-13H2,1H3
InChIKeyQWQUAOSVZBAIBN-UHFFFAOYSA-N
MW366.89 g/mol
LogP3.07
Rot. Bonds5

About (4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

(4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (PubChem CID 70752772) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
PubChem CID70752772
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Name(4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCOc1cc(Cl)ccc1C(=O)N1CCCCC1CCN1CCOCC1
InChIInChI=1S/C19H27ClN2O3/c1-24-18-14-15(20)5-6-17(18)19(23)22-8-3-2-4-16(22)7-9-21-10-12-25-13-11-21/h5-6,14,16H,2-4,7-13H2,1H3
InChIKeyQWQUAOSVZBAIBN-UHFFFAOYSA-N
XLogP3.07
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-bromoethyl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone
CID 80666287
(2-methoxy-4-methylphenyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 96574706
(2-methyl-5-propan-2-ylfuran-3-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97133758
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-chloro-4-methoxyphenyl)methanone;hydrochloride
CID 52985021
(2-methyl-5-propan-2-ylfuran-3-yl)-[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97133757
(3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 53193381
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
[4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 163339902
(2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 95715007
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(2-chlorophenyl)methanone
CID 23607111
2-(4-chloro-2-methoxybenzoyl)-6-oxa-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 171320455

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (CID 70752772) is (4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is COc1cc(Cl)ccc1C(=O)N1CCCCC1CCN1CCOCC1.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The InChIKey is QWQUAOSVZBAIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-24-18-14-15(20)5-6-17(18)19(23)22-8-3-2-4-16(22)7-9-21-10-12-25-13-11-21/h5-6,14,16H,2-4,7-13H2,1H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
(4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone has a molecular weight of 366.89 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70752772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).