5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;dihydrochloride

C15H23Cl2F2N3O2 — CID 163237704

IUPAC5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;dihydrochloride
SMILESCl.Cl.O=c1[nH]cc(C2CNCCC2(F)F)cc1CN1CCOCC1
InChIInChI=1S/C15H21F2N3O2.2ClH/c16-15(17)1-2-18-9-13(15)11-7-12(14(21)19-8-11)10-20-3-5-22-6-4-20;;/h7-8,13,18H,1-6,9-10H2,(H,19,21);2*1H
InChIKeyUPFJWOLXHAZEBE-UHFFFAOYSA-N
MW386.27 g/mol
LogP1.76
Rot. Bonds3

About 5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;dihydrochloride

5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;dihydrochloride (PubChem CID 163237704) has the molecular formula C15H23Cl2F2N3O2 and a molecular weight of 386.27 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;dihydrochloride
PubChem CID163237704
Molecular FormulaC15H23Cl2F2N3O2
Molecular Weight386.27 g/mol
Exact Mass385.11
IUPAC Name5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;dihydrochloride
SMILESCl.Cl.O=c1[nH]cc(C2CNCCC2(F)F)cc1CN1CCOCC1
InChIInChI=1S/C15H21F2N3O2.2ClH/c16-15(17)1-2-18-9-13(15)11-7-12(14(21)19-8-11)10-20-3-5-22-6-4-20;;/h7-8,13,18H,1-6,9-10H2,(H,19,21);2*1H
InChIKeyUPFJWOLXHAZEBE-UHFFFAOYSA-N
XLogP1.76
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;dihydrochloride?
The IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;dihydrochloride (CID 163237704) is 5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;dihydrochloride.
What is the SMILES notation for 5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;dihydrochloride?
The canonical SMILES for 5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;dihydrochloride is Cl.Cl.O=c1[nH]cc(C2CNCCC2(F)F)cc1CN1CCOCC1.
What is the InChIKey of 5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;dihydrochloride?
The InChIKey is UPFJWOLXHAZEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2.2ClH/c16-15(17)1-2-18-9-13(15)11-7-12(14(21)19-8-11)10-20-3-5-22-6-4-20;;/h7-8,13,18H,1-6,9-10H2,(H,19,21);2*1H.
What are the key properties of 5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;dihydrochloride?
5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;dihydrochloride has a molecular weight of 386.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-3-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one;dihydrochloride is sourced from PubChem (CID 163237704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).