[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

C15H19ClF2N4O — CID 163354588

IUPAC[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCCN(c2ncc(Cl)cn2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H19ClF2N4O/c16-12-8-19-14(20-9-12)22-5-1-2-11(10-22)13(23)21-6-3-15(17,18)4-7-21/h8-9,11H,1-7,10H2
InChIKeyPDWGDPQUIQUJJK-UHFFFAOYSA-N
MW344.79 g/mol
LogP2.60
Rot. Bonds2

About [1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone

[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 163354588) has the molecular formula C15H19ClF2N4O and a molecular weight of 344.79 g/mol. Its IUPAC name is [1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID163354588
Molecular FormulaC15H19ClF2N4O
Molecular Weight344.79 g/mol
Exact Mass344.12
IUPAC Name[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCCN(c2ncc(Cl)cn2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H19ClF2N4O/c16-12-8-19-14(20-9-12)22-5-1-2-11(10-22)13(23)21-6-3-15(17,18)4-7-21/h8-9,11H,1-7,10H2
InChIKeyPDWGDPQUIQUJJK-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 163354588) is [1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CCCN(c2ncc(Cl)cn2)C1)N1CCC(F)(F)CC1.
What is the InChIKey of [1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is PDWGDPQUIQUJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF2N4O/c16-12-8-19-14(20-9-12)22-5-1-2-11(10-22)13(23)21-6-3-15(17,18)4-7-21/h8-9,11H,1-7,10H2.
What are the key properties of [1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 344.79 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 163354588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).