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

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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).