6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one

C21H26N2O3 — CID 74232921

IUPAC6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCCC(OCc2ccccc2)C1
InChIInChI=1S/C21H26N2O3/c1-17-7-5-11-21(25)23(17)14-12-20(24)22-13-6-10-19(15-22)26-16-18-8-3-2-4-9-18/h2-5,7-9,11,19H,6,10,12-16H2,1H3
InChIKeyQBDPKUFWCSTCOI-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.75
Rot. Bonds6

About 6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one

6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one (PubChem CID 74232921) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one
PubChem CID74232921
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one
SMILESCc1cccc(=O)n1CCC(=O)N1CCCC(OCc2ccccc2)C1
InChIInChI=1S/C21H26N2O3/c1-17-7-5-11-21(25)23(17)14-12-20(24)22-13-6-10-19(15-22)26-16-18-8-3-2-4-9-18/h2-5,7-9,11,19H,6,10,12-16H2,1H3
InChIKeyQBDPKUFWCSTCOI-UHFFFAOYSA-N
XLogP2.75
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
CID 56819857
1-[[1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 56723128
2-methyl-4-[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136804333
3-methoxy-1-[2-oxo-2-(3-phenylmethoxypiperidin-1-yl)ethyl]pyridin-2-one
CID 72865730
6-methyl-1-[3-oxo-3-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]propyl]pyridin-2-one
CID 166616877
3-(4-methylpiperazin-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 90648429
5-benzyl-5-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 45218860
3-(2-methylimidazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 70709835
3-methyl-1-[3-[(4-methylphenyl)methoxy]piperidin-1-yl]butan-1-one
CID 46028750
1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223396
(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93223987
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one?
The IUPAC name of 6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one (CID 74232921) is 6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one.
What is the SMILES notation for 6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one?
The canonical SMILES for 6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one is Cc1cccc(=O)n1CCC(=O)N1CCCC(OCc2ccccc2)C1.
What is the InChIKey of 6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one?
The InChIKey is QBDPKUFWCSTCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-17-7-5-11-21(25)23(17)14-12-20(24)22-13-6-10-19(15-22)26-16-18-8-3-2-4-9-18/h2-5,7-9,11,19H,6,10,12-16H2,1H3.
What are the key properties of 6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one?
6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one has a molecular weight of 354.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one is sourced from PubChem (CID 74232921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).