[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone

C16H19ClF2N2O2 — CID 163353270

IUPAC[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone
SMILESO=C(C1CC(F)(F)C1)N1CCCC(COc2ncccc2Cl)C1
InChIInChI=1S/C16H19ClF2N2O2/c17-13-4-1-5-20-14(13)23-10-11-3-2-6-21(9-11)15(22)12-7-16(18,19)8-12/h1,4-5,11-12H,2-3,6-10H2
InChIKeyAKWUMXGAMNANQY-UHFFFAOYSA-N
MW344.79 g/mol
LogP3.40
Rot. Bonds4

About [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone

[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone (PubChem CID 163353270) has the molecular formula C16H19ClF2N2O2 and a molecular weight of 344.79 g/mol. Its IUPAC name is [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone.

Molecular Properties

Compound Name[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone
PubChem CID163353270
Molecular FormulaC16H19ClF2N2O2
Molecular Weight344.79 g/mol
Exact Mass344.11
IUPAC Name[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone
SMILESO=C(C1CC(F)(F)C1)N1CCCC(COc2ncccc2Cl)C1
InChIInChI=1S/C16H19ClF2N2O2/c17-13-4-1-5-20-14(13)23-10-11-3-2-6-21(9-11)15(22)12-7-16(18,19)8-12/h1,4-5,11-12H,2-3,6-10H2
InChIKeyAKWUMXGAMNANQY-UHFFFAOYSA-N
XLogP3.40
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 163353441
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 163353514
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352682
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 163354080
5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352850
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine
CID 163354645
N-propan-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxamide
CID 138988299
[3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 166595296
[(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 124874061
[3-(bromomethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 80660116

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone?
The IUPAC name of [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone (CID 163353270) is [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone.
What is the SMILES notation for [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone?
The canonical SMILES for [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone is O=C(C1CC(F)(F)C1)N1CCCC(COc2ncccc2Cl)C1.
What is the InChIKey of [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone?
The InChIKey is AKWUMXGAMNANQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF2N2O2/c17-13-4-1-5-20-14(13)23-10-11-3-2-6-21(9-11)15(22)12-7-16(18,19)8-12/h1,4-5,11-12H,2-3,6-10H2.
What are the key properties of [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone?
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone has a molecular weight of 344.79 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone is sourced from PubChem (CID 163353270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).