1-ethyl-3-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-6-methylpyridin-2-one

C23H30N2O3 — CID 95552185

IUPAC1-ethyl-3-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-6-methylpyridin-2-one
SMILESCCn1c(C)ccc(C(=O)N2CCC[C@H](CCc3ccc(OC)cc3)C2)c1=O
InChIInChI=1S/C23H30N2O3/c1-4-25-17(2)7-14-21(23(25)27)22(26)24-15-5-6-19(16-24)9-8-18-10-12-20(28-3)13-11-18/h7,10-14,19H,4-6,8-9,15-16H2,1-3H3/t19-/m1/s1
InChIKeyBCRPNQPHDYHKAE-LJQANCHMSA-N
MW382.50 g/mol
LogP3.67
Rot. Bonds6

About 1-ethyl-3-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-6-methylpyridin-2-one

1-ethyl-3-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-6-methylpyridin-2-one (PubChem CID 95552185) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-ethyl-3-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-6-methylpyridin-2-one
PubChem CID95552185
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-ethyl-3-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-6-methylpyridin-2-one
SMILESCCn1c(C)ccc(C(=O)N2CCC[C@H](CCc3ccc(OC)cc3)C2)c1=O
InChIInChI=1S/C23H30N2O3/c1-4-25-17(2)7-14-21(23(25)27)22(26)24-15-5-6-19(16-24)9-8-18-10-12-20(28-3)13-11-18/h7,10-14,19H,4-6,8-9,15-16H2,1-3H3/t19-/m1/s1
InChIKeyBCRPNQPHDYHKAE-LJQANCHMSA-N
XLogP3.67
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 25310805
1-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]but-2-yn-1-one
CID 25280814
[(3R)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 25304662
1-ethyl-6-methyl-3-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 126448084
[(3R)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 25374189
1-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-methylpentane-1,2-dione
CID 95486491
3-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 69258628
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]ethanone
CID 56877144
1-[5-[3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 45208957
1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one
CID 70717837
N-[2-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 95558206
3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
CID 95552362

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-6-methylpyridin-2-one?
The IUPAC name of 1-ethyl-3-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-6-methylpyridin-2-one (CID 95552185) is 1-ethyl-3-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-3-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-6-methylpyridin-2-one is CCn1c(C)ccc(C(=O)N2CCC[C@H](CCc3ccc(OC)cc3)C2)c1=O.
What is the InChIKey of 1-ethyl-3-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-6-methylpyridin-2-one?
The InChIKey is BCRPNQPHDYHKAE-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-4-25-17(2)7-14-21(23(25)27)22(26)24-15-5-6-19(16-24)9-8-18-10-12-20(28-3)13-11-18/h7,10-14,19H,4-6,8-9,15-16H2,1-3H3/t19-/m1/s1.
What are the key properties of 1-ethyl-3-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-6-methylpyridin-2-one?
1-ethyl-3-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-6-methylpyridin-2-one has a molecular weight of 382.50 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]-6-methylpyridin-2-one is sourced from PubChem (CID 95552185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).