3-chloro-4-[[4-(2-ethylphenyl)-4-methylpiperidin-1-yl]methyl]-1H-pyridin-2-one

C20H25ClN2O — CID 130238848

IUPAC3-chloro-4-[[4-(2-ethylphenyl)-4-methylpiperidin-1-yl]methyl]-1H-pyridin-2-one
SMILESCCc1ccccc1C1(C)CCN(Cc2cc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C20H25ClN2O/c1-3-15-6-4-5-7-17(15)20(2)9-12-23(13-10-20)14-16-8-11-22-19(24)18(16)21/h4-8,11H,3,9-10,12-14H2,1-2H3,(H,22,24)
InChIKeyLOAQQQHUGIZZKX-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.14
Rot. Bonds4

About 3-chloro-4-[[4-(2-ethylphenyl)-4-methylpiperidin-1-yl]methyl]-1H-pyridin-2-one

3-chloro-4-[[4-(2-ethylphenyl)-4-methylpiperidin-1-yl]methyl]-1H-pyridin-2-one (PubChem CID 130238848) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 3-chloro-4-[[4-(2-ethylphenyl)-4-methylpiperidin-1-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[[4-(2-ethylphenyl)-4-methylpiperidin-1-yl]methyl]-1H-pyridin-2-one
PubChem CID130238848
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name3-chloro-4-[[4-(2-ethylphenyl)-4-methylpiperidin-1-yl]methyl]-1H-pyridin-2-one
SMILESCCc1ccccc1C1(C)CCN(Cc2cc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C20H25ClN2O/c1-3-15-6-4-5-7-17(15)20(2)9-12-23(13-10-20)14-16-8-11-22-19(24)18(16)21/h4-8,11H,3,9-10,12-14H2,1-2H3,(H,22,24)
InChIKeyLOAQQQHUGIZZKX-UHFFFAOYSA-N
XLogP4.14
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[4-(2-ethylphenyl)-4-methylpiperidin-1-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-4-[[4-(2-ethylphenyl)-4-methylpiperidin-1-yl]methyl]-1H-pyridin-2-one (CID 130238848) is 3-chloro-4-[[4-(2-ethylphenyl)-4-methylpiperidin-1-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-4-[[4-(2-ethylphenyl)-4-methylpiperidin-1-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-4-[[4-(2-ethylphenyl)-4-methylpiperidin-1-yl]methyl]-1H-pyridin-2-one is CCc1ccccc1C1(C)CCN(Cc2cc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 3-chloro-4-[[4-(2-ethylphenyl)-4-methylpiperidin-1-yl]methyl]-1H-pyridin-2-one?
The InChIKey is LOAQQQHUGIZZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-3-15-6-4-5-7-17(15)20(2)9-12-23(13-10-20)14-16-8-11-22-19(24)18(16)21/h4-8,11H,3,9-10,12-14H2,1-2H3,(H,22,24).
What are the key properties of 3-chloro-4-[[4-(2-ethylphenyl)-4-methylpiperidin-1-yl]methyl]-1H-pyridin-2-one?
3-chloro-4-[[4-(2-ethylphenyl)-4-methylpiperidin-1-yl]methyl]-1H-pyridin-2-one has a molecular weight of 344.89 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[4-(2-ethylphenyl)-4-methylpiperidin-1-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 130238848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).