[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone

C19H29N3O3 — CID 70780005

IUPAC[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
SMILESCCOc1ncccc1C(=O)N1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C19H29N3O3/c1-4-24-18-17(6-5-9-20-18)19(23)21-10-7-16(8-11-21)22-12-14(2)25-15(3)13-22/h5-6,9,14-16H,4,7-8,10-13H2,1-3H3/t14-,15+
InChIKeyGLUARHWOAXJHKH-GASCZTMLSA-N
MW347.46 g/mol
LogP2.19
Rot. Bonds4

About [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone

[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone (PubChem CID 70780005) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
PubChem CID70780005
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
SMILESCCOc1ncccc1C(=O)N1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1
InChIInChI=1S/C19H29N3O3/c1-4-24-18-17(6-5-9-20-18)19(23)21-10-7-16(8-11-21)22-12-14(2)25-15(3)13-22/h5-6,9,14-16H,4,7-8,10-13H2,1-3H3/t14-,15+
InChIKeyGLUARHWOAXJHKH-GASCZTMLSA-N
XLogP2.19
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone with MolForge

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Related Compounds

(2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95149907
(4-cyclopropylpiperazin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone
CID 86853356
1-(2-ethoxypyridine-3-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808630
(2-ethoxy-3-pyridinyl)-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110132803
4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239609
(2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone
CID 121146196
3-cyclopentyl-1-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134020986
(2-ethoxy-3-pyridinyl)-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124949318
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 129355268
(2-ethoxy-3-pyridinyl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97192067
3-[1-(2-ethoxypyridine-3-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626812

Frequently Asked Questions

What is the IUPAC name of [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone?
The IUPAC name of [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone (CID 70780005) is [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone?
The canonical SMILES for [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone is CCOc1ncccc1C(=O)N1CCC(N2C[C@@H](C)O[C@@H](C)C2)CC1.
What is the InChIKey of [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone?
The InChIKey is GLUARHWOAXJHKH-GASCZTMLSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-24-18-17(6-5-9-20-18)19(23)21-10-7-16(8-11-21)22-12-14(2)25-15(3)13-22/h5-6,9,14-16H,4,7-8,10-13H2,1-3H3/t14-,15+.
What are the key properties of [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone?
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone has a molecular weight of 347.46 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone is sourced from PubChem (CID 70780005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).