(3-chloro-2-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C18H25ClN2O2 — CID 124627570

IUPAC(3-chloro-2-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1c(Cl)cccc1C(=O)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C18H25ClN2O2/c1-14-16(5-2-6-17(14)19)18(22)21-7-3-4-15(13-21)12-20-8-10-23-11-9-20/h2,5-6,15H,3-4,7-13H2,1H3/t15-/m1/s1
InChIKeyRFOMSWGEXLJXRY-OAHLLOKOSA-N
MW336.86 g/mol
LogP2.83
Rot. Bonds3

About (3-chloro-2-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

(3-chloro-2-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124627570) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID124627570
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name(3-chloro-2-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1c(Cl)cccc1C(=O)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C18H25ClN2O2/c1-14-16(5-2-6-17(14)19)18(22)21-7-3-4-15(13-21)12-20-8-10-23-11-9-20/h2,5-6,15H,3-4,7-13H2,1H3/t15-/m1/s1
InChIKeyRFOMSWGEXLJXRY-OAHLLOKOSA-N
XLogP2.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-Chlorobenzoyl)-morpholine
CID 225451
4-(3,5-Dichlorobenzoyl)morpholine
CID 790875
2,5-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 2162726
3-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 2269216
2-chloro-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 885892
2-chloro-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 2234725
N-(4-Chlorobenzoyl)morpholine
CID 225452
(4-Chlorophenyl)[2-(4-morpholinylcarbonyl)phenyl]methanone
CID 781328
(E)-3-(2-chlorophenyl)-1-morpholin-4-yl-2-phenylprop-2-en-1-one
CID 2286301
(3-Chlorophenyl)[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone
CID 3700490
(4-Chlorophenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 34680232
[9-[(4-Chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-phenylmethanone
CID 52942610

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-2-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 124627570) is (3-chloro-2-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is Cc1c(Cl)cccc1C(=O)N1CCC[C@H](CN2CCOCC2)C1.
What is the InChIKey of (3-chloro-2-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is RFOMSWGEXLJXRY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-14-16(5-2-6-17(14)19)18(22)21-7-3-4-15(13-21)12-20-8-10-23-11-9-20/h2,5-6,15H,3-4,7-13H2,1H3/t15-/m1/s1.
What are the key properties of (3-chloro-2-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(3-chloro-2-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 336.86 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124627570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).