3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide

C18H19ClFN3O2 — CID 163353441

IUPAC3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCCC(COc2ncccc2Cl)C1
InChIInChI=1S/C18H19ClFN3O2/c19-14-6-3-9-21-17(14)25-12-13-5-4-10-23(11-13)18(24)22-16-8-2-1-7-15(16)20/h1-3,6-9,13H,4-5,10-12H2,(H,22,24)
InChIKeyPDZYLKLTRVAIMZ-UHFFFAOYSA-N
MW363.82 g/mol
LogP4.20
Rot. Bonds4

About 3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide

3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide (PubChem CID 163353441) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is 3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
PubChem CID163353441
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Name3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCCC(COc2ncccc2Cl)C1
InChIInChI=1S/C18H19ClFN3O2/c19-14-6-3-9-21-17(14)25-12-13-5-4-10-23(11-13)18(24)22-16-8-2-1-7-15(16)20/h1-3,6-9,13H,4-5,10-12H2,(H,22,24)
InChIKeyPDZYLKLTRVAIMZ-UHFFFAOYSA-N
XLogP4.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide
CID 163353325
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 163351634
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 163353270
N-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide
CID 138989107
N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257527
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 91914043
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 163353514
N-propan-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxamide
CID 138988299
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352682
(3R)-N-(2-fluorophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 94139041
(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 51950903

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide (CID 163353441) is 3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide is O=C(Nc1ccccc1F)N1CCCC(COc2ncccc2Cl)C1.
What is the InChIKey of 3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is PDZYLKLTRVAIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c19-14-6-3-9-21-17(14)25-12-13-5-4-10-23(11-13)18(24)22-16-8-2-1-7-15(16)20/h1-3,6-9,13H,4-5,10-12H2,(H,22,24).
What are the key properties of 3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide?
3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 363.82 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 163353441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).