5-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C18H25N3O3 — CID 16865014

IUPAC5-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC1CCN(C(=O)C2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)CC1
InChIInChI=1S/C18H25N3O3/c1-13-4-8-20(9-5-13)17(23)14-6-10-21(11-7-14)18(24)15-2-3-16(22)19-12-15/h2-3,12-14H,4-11H2,1H3,(H,19,22)
InChIKeyNBQIQGLNDSTEFK-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.49
Rot. Bonds2

About 5-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one

5-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 16865014) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID16865014
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name5-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC1CCN(C(=O)C2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)CC1
InChIInChI=1S/C18H25N3O3/c1-13-4-8-20(9-5-13)17(23)14-6-10-21(11-7-14)18(24)15-2-3-16(22)19-12-15/h2-3,12-14H,4-11H2,1H3,(H,19,22)
InChIKeyNBQIQGLNDSTEFK-UHFFFAOYSA-N
XLogP1.49
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676921
N-({1-[(2E)-2-methylpent-2-en-1-yl]piperidin-4-yl}methyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 56710306
1-Ethyl-5-{[4-(piperidine-3-carbonyl)piperazin-1-YL]methyl}-1,2-dihydropyridin-2-one
CID 53191700
N-ethyl-1-(2-methylpent-2-enoyl)piperidine-4-carboxamide
CID 72155674
(2S)-3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide
CID 171359526
4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 171359635
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-6-hydroxynicotinamide
CID 132228029
1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide
CID 55717916
5-[4-(Trifluoromethyl)piperidine-1-carbonyl]-1,2-dihydropyridin-2-one
CID 65537876
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110730548
1-(2,2-difluoroethyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-4-carboxamide
CID 132376878
1-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-N-propylpiperidine-4-carboxamide
CID 133816756

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 16865014) is 5-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one is CC1CCN(C(=O)C2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)CC1.
What is the InChIKey of 5-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is NBQIQGLNDSTEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-4-8-20(9-5-13)17(23)14-6-10-21(11-7-14)18(24)15-2-3-16(22)19-12-15/h2-3,12-14H,4-11H2,1H3,(H,19,22).
What are the key properties of 5-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
5-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 331.42 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 16865014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).