(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

C19H28N2O2 — CID 95111754

IUPAC(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)c1
InChIInChI=1S/C19H28N2O2/c1-16-5-4-6-17(15-16)19(22)21-9-3-2-7-18(21)8-10-20-11-13-23-14-12-20/h4-6,15,18H,2-3,7-14H2,1H3/t18-/m0/s1
InChIKeyAGOXERADWFKXKJ-SFHVURJKSA-N
MW316.44 g/mol
LogP2.71
Rot. Bonds4

About (3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone

(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (PubChem CID 95111754) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
PubChem CID95111754
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)c1
InChIInChI=1S/C19H28N2O2/c1-16-5-4-6-17(15-16)19(22)21-9-3-2-7-18(21)8-10-20-11-13-23-14-12-20/h4-6,15,18H,2-3,7-14H2,1H3/t18-/m0/s1
InChIKeyAGOXERADWFKXKJ-SFHVURJKSA-N
XLogP2.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 26819143
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 23607107
(3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984382
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
[2-(2-chloroethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 55187614
[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 96580443
1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111788
[3-(1H-imidazol-5-yl)phenyl]-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 126452571
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 79549123
1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549536
[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95111790
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone (CID 95111754) is (3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is Cc1cccc(C(=O)N2CCCC[C@H]2CCN2CCOCC2)c1.
What is the InChIKey of (3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
The InChIKey is AGOXERADWFKXKJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-16-5-4-6-17(15-16)19(22)21-9-3-2-7-18(21)8-10-20-11-13-23-14-12-20/h4-6,15,18H,2-3,7-14H2,1H3/t18-/m0/s1.
What are the key properties of (3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone?
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone has a molecular weight of 316.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95111754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).