2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone

C17H24ClN3O3 — CID 163354080

IUPAC2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCCC(COc2ncccc2Cl)C1)N1CCOCC1
InChIInChI=1S/C17H24ClN3O3/c18-15-4-1-5-19-17(15)24-13-14-3-2-6-20(11-14)12-16(22)21-7-9-23-10-8-21/h1,4-5,14H,2-3,6-13H2
InChIKeyNMLOUARXXGPUIR-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.68
Rot. Bonds5

About 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone

2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 163354080) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID163354080
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCCC(COc2ncccc2Cl)C1)N1CCOCC1
InChIInChI=1S/C17H24ClN3O3/c18-15-4-1-5-19-17(15)24-13-14-3-2-6-20(11-14)12-16(22)21-7-9-23-10-8-21/h1,4-5,14H,2-3,6-13H2
InChIKeyNMLOUARXXGPUIR-UHFFFAOYSA-N
XLogP1.68
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 163351634
N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide
CID 163353325
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 163353270
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352682
5-[[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 163352717
3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine
CID 163352657
3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 163353441
2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 125023556
4-[[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 163354714
1-(2-morpholin-4-yl-2-oxoethyl)piperidine-3-carboxylic acid
CID 43385913
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 163353514
5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352850

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone (CID 163354080) is 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone is O=C(CN1CCCC(COc2ncccc2Cl)C1)N1CCOCC1.
What is the InChIKey of 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is NMLOUARXXGPUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c18-15-4-1-5-19-17(15)24-13-14-3-2-6-20(11-14)12-16(22)21-7-9-23-10-8-21/h1,4-5,14H,2-3,6-13H2.
What are the key properties of 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone?
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 353.85 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 163354080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).