4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide

C20H29F2N3O — CID 155922396

IUPAC4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide
SMILESCc1cccc(C2CCN(CCNC(=O)C3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C20H29F2N3O/c1-15-3-2-4-18(24-15)16-7-12-25(13-8-16)14-11-23-19(26)17-5-9-20(21,22)10-6-17/h2-4,16-17H,5-14H2,1H3,(H,23,26)
InChIKeyKQNGZWUJPKEOIL-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.51
Rot. Bonds5

About 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide

4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide (PubChem CID 155922396) has the molecular formula C20H29F2N3O and a molecular weight of 365.47 g/mol. Its IUPAC name is 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide
PubChem CID155922396
Molecular FormulaC20H29F2N3O
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Name4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide
SMILESCc1cccc(C2CCN(CCNC(=O)C3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C20H29F2N3O/c1-15-3-2-4-18(24-15)16-7-12-25(13-8-16)14-11-23-19(26)17-5-9-20(21,22)10-6-17/h2-4,16-17H,5-14H2,1H3,(H,23,26)
InChIKeyKQNGZWUJPKEOIL-UHFFFAOYSA-N
XLogP3.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide (CID 155922396) is 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide is Cc1cccc(C2CCN(CCNC(=O)C3CCC(F)(F)CC3)CC2)n1.
What is the InChIKey of 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide?
The InChIKey is KQNGZWUJPKEOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N3O/c1-15-3-2-4-18(24-15)16-7-12-25(13-8-16)14-11-23-19(26)17-5-9-20(21,22)10-6-17/h2-4,16-17H,5-14H2,1H3,(H,23,26).
What are the key properties of 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 365.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 155922396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).