5-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

C19H29N3O3 — CID 118780016

IUPAC5-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]c(C)c1C(=O)N1CCC(N2CCCC(CO)C2)CC1
InChIInChI=1S/C19H29N3O3/c1-13-10-17(24)20-14(2)18(13)19(25)21-8-5-16(6-9-21)22-7-3-4-15(11-22)12-23/h10,15-16,23H,3-9,11-12H2,1-2H3,(H,20,24)
InChIKeyAUBQHACVMMLKRR-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.30
Rot. Bonds3

About 5-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

5-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 118780016) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 5-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID118780016
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name5-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]c(C)c1C(=O)N1CCC(N2CCCC(CO)C2)CC1
InChIInChI=1S/C19H29N3O3/c1-13-10-17(24)20-14(2)18(13)19(25)21-8-5-16(6-9-21)22-7-3-4-15(11-22)12-23/h10,15-16,23H,3-9,11-12H2,1-2H3,(H,20,24)
InChIKeyAUBQHACVMMLKRR-UHFFFAOYSA-N
XLogP1.30
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
CID 99932218
(2-fluoro-4-hydroxyphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
CID 99928743
(2-amino-1,3-thiazol-4-yl)-[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
CID 125171855
4-[3-(hydroxymethyl)piperidin-1-yl]cyclohexan-1-one
CID 114762063
2-(1,3-dihydroisoindol-2-yl)-1-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 125160944
2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
CID 62691283
[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 62348603
3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-6-(2-phenylethyl)pyran-2-one
CID 170513030
(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 42883607
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2,3,4,5,6-pentamethylphenyl)methanone
CID 62370587
[2-methyl-5-(4-methylphenyl)-1H-pyrrol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46389328

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 5-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (CID 118780016) is 5-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(=O)[nH]c(C)c1C(=O)N1CCC(N2CCCC(CO)C2)CC1.
What is the InChIKey of 5-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is AUBQHACVMMLKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-10-17(24)20-14(2)18(13)19(25)21-8-5-16(6-9-21)22-7-3-4-15(11-22)12-23/h10,15-16,23H,3-9,11-12H2,1-2H3,(H,20,24).
What are the key properties of 5-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
5-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 347.46 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(hydroxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 118780016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).