1-(4,4-difluoropiperidin-1-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone

C15H22F2N4O — CID 126426140

IUPAC1-(4,4-difluoropiperidin-1-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc([C@H]2CCCNC2)n1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H22F2N4O/c16-15(17)4-8-20(9-5-15)14(22)11-21-7-3-13(19-21)12-2-1-6-18-10-12/h3,7,12,18H,1-2,4-6,8-11H2/t12-/m0/s1
InChIKeyCDUJKMJWIWGEDH-LBPRGKRZSA-N
MW312.36 g/mol
LogP1.61
Rot. Bonds3

About 1-(4,4-difluoropiperidin-1-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone

1-(4,4-difluoropiperidin-1-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone (PubChem CID 126426140) has the molecular formula C15H22F2N4O and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(4,4-difluoropiperidin-1-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
PubChem CID126426140
Molecular FormulaC15H22F2N4O
Molecular Weight312.36 g/mol
Exact Mass312.18
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc([C@H]2CCCNC2)n1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H22F2N4O/c16-15(17)4-8-20(9-5-15)14(22)11-21-7-3-13(19-21)12-2-1-6-18-10-12/h3,7,12,18H,1-2,4-6,8-11H2/t12-/m0/s1
InChIKeyCDUJKMJWIWGEDH-LBPRGKRZSA-N
XLogP1.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone?
The IUPAC name of 1-(4,4-difluoropiperidin-1-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone (CID 126426140) is 1-(4,4-difluoropiperidin-1-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-(4,4-difluoropiperidin-1-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-(4,4-difluoropiperidin-1-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone is O=C(Cn1ccc([C@H]2CCCNC2)n1)N1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluoropiperidin-1-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone?
The InChIKey is CDUJKMJWIWGEDH-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22F2N4O/c16-15(17)4-8-20(9-5-15)14(22)11-21-7-3-13(19-21)12-2-1-6-18-10-12/h3,7,12,18H,1-2,4-6,8-11H2/t12-/m0/s1.
What are the key properties of 1-(4,4-difluoropiperidin-1-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone?
1-(4,4-difluoropiperidin-1-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone has a molecular weight of 312.36 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoropiperidin-1-yl)-2-[3-[(3S)-piperidin-3-yl]pyrazol-1-yl]ethanone is sourced from PubChem (CID 126426140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).