(1R)-3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide

C18H30F2N2O2 — CID 124874846

IUPAC(1R)-3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCOCC1)[C@@H]1CCCC(F)(F)C1
InChIInChI=1S/C18H30F2N2O2/c19-18(20)6-4-5-15(13-18)16(23)21-14-17(7-11-24-12-8-17)22-9-2-1-3-10-22/h15H,1-14H2,(H,21,23)/t15-/m1/s1
InChIKeyPXGWVQDLZKGWST-OAHLLOKOSA-N
MW344.45 g/mol
LogP2.96
Rot. Bonds4

About (1R)-3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide

(1R)-3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 124874846) has the molecular formula C18H30F2N2O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is (1R)-3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R)-3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide
PubChem CID124874846
Molecular FormulaC18H30F2N2O2
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Name(1R)-3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCOCC1)[C@@H]1CCCC(F)(F)C1
InChIInChI=1S/C18H30F2N2O2/c19-18(20)6-4-5-15(13-18)16(23)21-14-17(7-11-24-12-8-17)22-9-2-1-3-10-22/h15H,1-14H2,(H,21,23)/t15-/m1/s1
InChIKeyPXGWVQDLZKGWST-OAHLLOKOSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of (1R)-3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide (CID 124874846) is (1R)-3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for (1R)-3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for (1R)-3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide is O=C(NCC1(N2CCCCC2)CCOCC1)[C@@H]1CCCC(F)(F)C1.
What is the InChIKey of (1R)-3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is PXGWVQDLZKGWST-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30F2N2O2/c19-18(20)6-4-5-15(13-18)16(23)21-14-17(7-11-24-12-8-17)22-9-2-1-3-10-22/h15H,1-14H2,(H,21,23)/t15-/m1/s1.
What are the key properties of (1R)-3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide?
(1R)-3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3-difluoro-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 124874846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).