[4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone

C15H17Cl2F2N3O2 — CID 163347989

IUPAC[4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CN(c2ncc(Cl)cc2Cl)CCO1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H17Cl2F2N3O2/c16-10-7-11(17)13(20-8-10)22-5-6-24-12(9-22)14(23)21-3-1-15(18,19)2-4-21/h7-8,12H,1-6,9H2
InChIKeyDQOCVHHPCBXOSO-UHFFFAOYSA-N
MW380.22 g/mol
LogP2.85
Rot. Bonds2

About [4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone

[4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 163347989) has the molecular formula C15H17Cl2F2N3O2 and a molecular weight of 380.22 g/mol. Its IUPAC name is [4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID163347989
Molecular FormulaC15H17Cl2F2N3O2
Molecular Weight380.22 g/mol
Exact Mass379.07
IUPAC Name[4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CN(c2ncc(Cl)cc2Cl)CCO1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H17Cl2F2N3O2/c16-10-7-11(17)13(20-8-10)22-5-6-24-12(9-22)14(23)21-3-1-15(18,19)2-4-21/h7-8,12H,1-6,9H2
InChIKeyDQOCVHHPCBXOSO-UHFFFAOYSA-N
XLogP2.85
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163345700
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354027
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51160163
2-(bromomethyl)-4-(3,5-dichloro-2-pyridinyl)morpholine
CID 81210900
[4-(5-chloropyrimidin-2-yl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155799926
(4,4-difluoropiperidin-1-yl)-[4-(6-methylpyrazin-2-yl)morpholin-2-yl]methanone
CID 163345706
[4-(1,3-benzothiazol-2-yl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163346253
[4-(5-bromo-3-fluoro-2-pyridinyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 163343648
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166600860
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587175
4-(5-bromo-3-chloro-2-pyridinyl)morpholine-2-carbothioamide
CID 103582245
4-(5-chloro-3-fluoro-2-pyridinyl)morpholine-2-carboximidamide
CID 79727211

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 163347989) is [4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CN(c2ncc(Cl)cc2Cl)CCO1)N1CCC(F)(F)CC1.
What is the InChIKey of [4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is DQOCVHHPCBXOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2F2N3O2/c16-10-7-11(17)13(20-8-10)22-5-6-24-12(9-22)14(23)21-3-1-15(18,19)2-4-21/h7-8,12H,1-6,9H2.
What are the key properties of [4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 380.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 163347989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).