N-(3,5-difluorophenyl)-1-(2-phenylcyclohexyl)piperidine-2-carboxamide

C24H28F2N2O — CID 173201109

IUPACN-(3,5-difluorophenyl)-1-(2-phenylcyclohexyl)piperidine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)C1CCCCN1C1CCCCC1c1ccccc1
InChIInChI=1S/C24H28F2N2O/c25-18-14-19(26)16-20(15-18)27-24(29)23-12-6-7-13-28(23)22-11-5-4-10-21(22)17-8-2-1-3-9-17/h1-3,8-9,14-16,21-23H,4-7,10-13H2,(H,27,29)
InChIKeyMRYDHJJWZDRIMO-UHFFFAOYSA-N
MW398.50 g/mol
LogP5.48
Rot. Bonds4

About N-(3,5-difluorophenyl)-1-(2-phenylcyclohexyl)piperidine-2-carboxamide

N-(3,5-difluorophenyl)-1-(2-phenylcyclohexyl)piperidine-2-carboxamide (PubChem CID 173201109) has the molecular formula C24H28F2N2O and a molecular weight of 398.50 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-1-(2-phenylcyclohexyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-1-(2-phenylcyclohexyl)piperidine-2-carboxamide
PubChem CID173201109
Molecular FormulaC24H28F2N2O
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-(3,5-difluorophenyl)-1-(2-phenylcyclohexyl)piperidine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)C1CCCCN1C1CCCCC1c1ccccc1
InChIInChI=1S/C24H28F2N2O/c25-18-14-19(26)16-20(15-18)27-24(29)23-12-6-7-13-28(23)22-11-5-4-10-21(22)17-8-2-1-3-9-17/h1-3,8-9,14-16,21-23H,4-7,10-13H2,(H,27,29)
InChIKeyMRYDHJJWZDRIMO-UHFFFAOYSA-N
XLogP5.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.50
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-1-(2-phenylcyclohexyl)piperidine-2-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-1-(2-phenylcyclohexyl)piperidine-2-carboxamide (CID 173201109) is N-(3,5-difluorophenyl)-1-(2-phenylcyclohexyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-1-(2-phenylcyclohexyl)piperidine-2-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-1-(2-phenylcyclohexyl)piperidine-2-carboxamide is O=C(Nc1cc(F)cc(F)c1)C1CCCCN1C1CCCCC1c1ccccc1.
What is the InChIKey of N-(3,5-difluorophenyl)-1-(2-phenylcyclohexyl)piperidine-2-carboxamide?
The InChIKey is MRYDHJJWZDRIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2O/c25-18-14-19(26)16-20(15-18)27-24(29)23-12-6-7-13-28(23)22-11-5-4-10-21(22)17-8-2-1-3-9-17/h1-3,8-9,14-16,21-23H,4-7,10-13H2,(H,27,29).
What are the key properties of N-(3,5-difluorophenyl)-1-(2-phenylcyclohexyl)piperidine-2-carboxamide?
N-(3,5-difluorophenyl)-1-(2-phenylcyclohexyl)piperidine-2-carboxamide has a molecular weight of 398.50 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-1-(2-phenylcyclohexyl)piperidine-2-carboxamide is sourced from PubChem (CID 173201109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).