5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one

C17H23N3O3 — CID 126786973

IUPAC5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C1CCCCN1CC1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C17H23N3O3/c21-15-5-4-14(11-18-15)17(23)19-9-6-13(7-10-19)12-20-8-2-1-3-16(20)22/h4-5,11,13H,1-3,6-10,12H2,(H,18,21)
InChIKeySDQBVNOPJKXSEF-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.24
Rot. Bonds3

About 5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one

5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 126786973) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID126786973
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C1CCCCN1CC1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C17H23N3O3/c21-15-5-4-14(11-18-15)17(23)19-9-6-13(7-10-19)12-20-8-2-1-3-16(20)22/h4-5,11,13H,1-3,6-10,12H2,(H,18,21)
InChIKeySDQBVNOPJKXSEF-UHFFFAOYSA-N
XLogP1.24
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119185875
2-[4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]phenoxy]acetamide
CID 119136022
1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119945615
(5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97125382
4-[3-oxo-3-[4-[(2-oxopiperidin-1-yl)methyl]piperidin-1-yl]propyl]benzoic acid
CID 119185876
1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 56792637
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
1-[[1-[6-(piperidin-3-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 56745113
1-[[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]methyl]piperidin-2-one
CID 111538893
3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942023
5-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24707425
N-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 49348738

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 126786973) is 5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one is O=C1CCCCN1CC1CCN(C(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is SDQBVNOPJKXSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-15-5-4-14(11-18-15)17(23)19-9-6-13(7-10-19)12-20-8-2-1-3-16(20)22/h4-5,11,13H,1-3,6-10,12H2,(H,18,21).
What are the key properties of 5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 126786973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).