4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one

C18H29N3O — CID 171359635

IUPAC4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCCN1CCC[C@H](CN2CCC(c3cc[nH]c(=O)c3)CC2)C1
InChIInChI=1S/C18H29N3O/c1-2-20-9-3-4-15(13-20)14-21-10-6-16(7-11-21)17-5-8-19-18(22)12-17/h5,8,12,15-16H,2-4,6-7,9-11,13-14H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyNEZWKWZHIHEDMP-HNNXBMFYSA-N
MW303.45 g/mol
LogP2.29
Rot. Bonds4

About 4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one

4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 171359635) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one
PubChem CID171359635
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCCN1CCC[C@H](CN2CCC(c3cc[nH]c(=O)c3)CC2)C1
InChIInChI=1S/C18H29N3O/c1-2-20-9-3-4-15(13-20)14-21-10-6-16(7-11-21)17-5-8-19-18(22)12-17/h5,8,12,15-16H,2-4,6-7,9-11,13-14H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyNEZWKWZHIHEDMP-HNNXBMFYSA-N
XLogP2.29
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

10-Methyl-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
CID 24783757
US11667638, Example 148
CID 146646317
US11667638, Example 110
CID 146646623
US11667638, Example 118
CID 146646628
US11667638, Example 144
CID 146646633
US11667638, Example 116
CID 146646650
US11667638, Example 151
CID 153497042
US11667638, Example 152
CID 153497055
5-(4,4-difluoropiperidin-3-yl)-3-[(4,4-difluoropiperidin-1-yl)methyl]-1H-pyridin-2-one
CID 176264824
13-Methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 10245
4-(3-fluoropiperidin-4-yl)-1H-pyridin-2-one
CID 71433112
4-[1-(5-fluoropentyl)-4-piperidinyl]-2(1H)-pyridinone formate
CID 138378074

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one (CID 171359635) is 4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one is CCN1CCC[C@H](CN2CCC(c3cc[nH]c(=O)c3)CC2)C1.
What is the InChIKey of 4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is NEZWKWZHIHEDMP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-2-20-9-3-4-15(13-20)14-21-10-6-16(7-11-21)17-5-8-19-18(22)12-17/h5,8,12,15-16H,2-4,6-7,9-11,13-14H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of 4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one?
4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 303.45 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[(3S)-1-ethylpiperidin-3-yl]methyl]piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 171359635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).