[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone

C18H22N2O2 — CID 124753964

IUPAC[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)[C@H]1CCCN(CCCc2ccco2)C1
InChIInChI=1S/C18H22N2O2/c21-18(17-9-1-2-10-19-17)15-6-3-11-20(14-15)12-4-7-16-8-5-13-22-16/h1-2,5,8-10,13,15H,3-4,6-7,11-12,14H2/t15-/m0/s1
InChIKeyMYODXEKYWBRGQD-HNNXBMFYSA-N
MW298.39 g/mol
LogP3.20
Rot. Bonds6

About [(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone

[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone (PubChem CID 124753964) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is [(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
PubChem CID124753964
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)[C@H]1CCCN(CCCc2ccco2)C1
InChIInChI=1S/C18H22N2O2/c21-18(17-9-1-2-10-19-17)15-6-3-11-20(14-15)12-4-7-16-8-5-13-22-16/h1-2,5,8-10,13,15H,3-4,6-7,11-12,14H2/t15-/m0/s1
InChIKeyMYODXEKYWBRGQD-HNNXBMFYSA-N
XLogP3.20
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124852139
[1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 91829986
[(3S)-1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124757098
[(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124753012
1-[3-(furan-2-yl)propyl]piperidine
CID 162740839
[(3S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99929635
[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99959880
[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 26408898
[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 97187368
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 72840558
[1-[3-(furan-2-yl)propyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 91842140
[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99926517

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone (CID 124753964) is [(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)[C@H]1CCCN(CCCc2ccco2)C1.
What is the InChIKey of [(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The InChIKey is MYODXEKYWBRGQD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-18(17-9-1-2-10-19-17)15-6-3-11-20(14-15)12-4-7-16-8-5-13-22-16/h1-2,5,8-10,13,15H,3-4,6-7,11-12,14H2/t15-/m0/s1.
What are the key properties of [(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone?
[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone has a molecular weight of 298.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 124753964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).