(3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one

C14H17NO2 — CID 159856465

IUPAC(3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one
SMILESCc1ccc(C(=O)C[C@H]2CCCNC2=O)cc1
InChIInChI=1S/C14H17NO2/c1-10-4-6-11(7-5-10)13(16)9-12-3-2-8-15-14(12)17/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyNQPCMXGHPFMKKN-GFCCVEGCSA-N
MW231.30 g/mol
LogP2.09
Rot. Bonds3

About (3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one

(3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one (PubChem CID 159856465) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one
PubChem CID159856465
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one
SMILESCc1ccc(C(=O)C[C@H]2CCCNC2=O)cc1
InChIInChI=1S/C14H17NO2/c1-10-4-6-11(7-5-10)13(16)9-12-3-2-8-15-14(12)17/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)/t12-/m1/s1
InChIKeyNQPCMXGHPFMKKN-GFCCVEGCSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[2-(4-octylphenyl)-2-oxoethyl]piperidin-2-one
CID 160867179
1-(4-methylphenyl)-2-piperidin-3-ylethanone
CID 84683077
(3S)-3-[(4-methylphenyl)sulfonylmethyl]piperidin-2-one
CID 160872668
tert-butyl 4-(4-methylbenzoyl)-3-[2-[(3R)-2-oxopiperidin-3-yl]acetyl]piperazine-1-carboxylate
CID 58467818
3-[(2,5-dimethylphenyl)methyl]piperidin-2-one
CID 104679078
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-(2-oxoazepan-3-yl)acetamide
CID 119037622
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-[(3R)-2-oxoazepan-3-yl]acetamide
CID 100694064
2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide
CID 94801293
(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopentan-1-one
CID 97032971
cis-(2R,5S)-2,5-bis[3-(4-methylphenyl)-3-oxopropyl]cyclopentan-1-one
CID 101164261
N-(4-methylphenyl)-4-nitro-N-(2-oxopiperidin-3-yl)benzamide
CID 56951332
(2R)-2-[2-(4-fluorophenyl)-2-oxoethyl]cycloheptan-1-one
CID 97032911

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one?
The IUPAC name of (3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one (CID 159856465) is (3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for (3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one?
The canonical SMILES for (3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one is Cc1ccc(C(=O)C[C@H]2CCCNC2=O)cc1.
What is the InChIKey of (3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one?
The InChIKey is NQPCMXGHPFMKKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-4-6-11(7-5-10)13(16)9-12-3-2-8-15-14(12)17/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one?
(3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 159856465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).