[(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone

C18H21N3O2 — CID 95875592

IUPAC[(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
SMILESCC[C@H]1CCCCN1C(=O)c1cccc(Oc2ncccn2)c1
InChIInChI=1S/C18H21N3O2/c1-2-15-8-3-4-12-21(15)17(22)14-7-5-9-16(13-14)23-18-19-10-6-11-20-18/h5-7,9-11,13,15H,2-4,8,12H2,1H3/t15-/m0/s1
InChIKeyBKECRAXZKQSXEG-HNNXBMFYSA-N
MW311.38 g/mol
LogP3.67
Rot. Bonds4

About [(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone

[(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone (PubChem CID 95875592) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is [(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
PubChem CID95875592
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name[(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
SMILESCC[C@H]1CCCCN1C(=O)c1cccc(Oc2ncccn2)c1
InChIInChI=1S/C18H21N3O2/c1-2-15-8-3-4-12-21(15)17(22)14-7-5-9-16(13-14)23-18-19-10-6-11-20-18/h5-7,9-11,13,15H,2-4,8,12H2,1H3/t15-/m0/s1
InChIKeyBKECRAXZKQSXEG-HNNXBMFYSA-N
XLogP3.67
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 125135136
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 119467327
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpiperidin-1-yl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109174674
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 79548686
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 55334521
3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050358

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone?
The IUPAC name of [(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone (CID 95875592) is [(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone.
What is the SMILES notation for [(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone?
The canonical SMILES for [(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone is CC[C@H]1CCCCN1C(=O)c1cccc(Oc2ncccn2)c1.
What is the InChIKey of [(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone?
The InChIKey is BKECRAXZKQSXEG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-15-8-3-4-12-21(15)17(22)14-7-5-9-16(13-14)23-18-19-10-6-11-20-18/h5-7,9-11,13,15H,2-4,8,12H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone?
[(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone has a molecular weight of 311.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone is sourced from PubChem (CID 95875592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).