1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one

C21H28N2O2 — CID 138385382

IUPAC1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one
SMILESCCCOc1ccccc1CN1CCC(c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C21H28N2O2/c1-3-14-25-20-7-5-4-6-19(20)16-23-12-9-17(10-13-23)18-8-11-22(2)21(24)15-18/h4-8,11,15,17H,3,9-10,12-14,16H2,1-2H3
InChIKeyCUMAIDJWBMOYJU-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.55
Rot. Bonds6

About 1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one

1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one (PubChem CID 138385382) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one
PubChem CID138385382
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one
SMILESCCCOc1ccccc1CN1CCC(c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C21H28N2O2/c1-3-14-25-20-7-5-4-6-19(20)16-23-12-9-17(10-13-23)18-8-11-22(2)21(24)15-18/h4-8,11,15,17H,3,9-10,12-14,16H2,1-2H3
InChIKeyCUMAIDJWBMOYJU-UHFFFAOYSA-N
XLogP3.55
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384179
4-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138385563
1-[(2-butoxyphenyl)methyl]piperidin-4-amine
CID 39257236
1-methyl-4-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyridin-2-one
CID 138386123
4-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138378268
(3S)-1-[(2-butoxyphenyl)methyl]pyrrolidin-3-ol
CID 86795938
[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 54794622
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
CID 39363366
4-[1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384991
2-[2-[[(4R)-4-phenylazepan-1-yl]methyl]phenoxy]acetic acid
CID 99946154
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
1-methyl-4-piperidin-4-ylpyridin-2-one
CID 59627486

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one (CID 138385382) is 1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one is CCCOc1ccccc1CN1CCC(c2ccn(C)c(=O)c2)CC1.
What is the InChIKey of 1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one?
The InChIKey is CUMAIDJWBMOYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-3-14-25-20-7-5-4-6-19(20)16-23-12-9-17(10-13-23)18-8-11-22(2)21(24)15-18/h4-8,11,15,17H,3,9-10,12-14,16H2,1-2H3.
What are the key properties of 1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one?
1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one has a molecular weight of 340.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[(2-propoxyphenyl)methyl]piperidin-4-yl]pyridin-2-one is sourced from PubChem (CID 138385382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).