[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone

C19H22N2O2 — CID 84513638

IUPAC[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCCc1cccc(OC2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C19H22N2O2/c1-2-15-5-3-7-18(13-15)23-17-8-11-21(12-9-17)19(22)16-6-4-10-20-14-16/h3-7,10,13-14,17H,2,8-9,11-12H2,1H3
InChIKeyXKVPIHKRRYVSHC-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.33
Rot. Bonds4

About [4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone

[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 84513638) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID84513638
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCCc1cccc(OC2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C19H22N2O2/c1-2-15-5-3-7-18(13-15)23-17-8-11-21(12-9-17)19(22)16-6-4-10-20-14-16/h3-7,10,13-14,17H,2,8-9,11-12H2,1H3
InChIKeyXKVPIHKRRYVSHC-UHFFFAOYSA-N
XLogP3.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
CID 110603192
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 56796144
1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 110420722
4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 155219080
[(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone
CID 42147776
N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113004742
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90565963
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122158541

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone (CID 84513638) is [4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone is CCc1cccc(OC2CCN(C(=O)c3cccnc3)CC2)c1.
What is the InChIKey of [4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is XKVPIHKRRYVSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-15-5-3-7-18(13-15)23-17-8-11-21(12-9-17)19(22)16-6-4-10-20-14-16/h3-7,10,13-14,17H,2,8-9,11-12H2,1H3.
What are the key properties of [4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone?
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 310.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 84513638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).