N-tert-butyl-4-(4,4-difluorocyclohexyl)piperidine-4-carboxamide

C16H28F2N2O — CID 23388588

IUPACN-tert-butyl-4-(4,4-difluorocyclohexyl)piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1(C2CCC(F)(F)CC2)CCNCC1
InChIInChI=1S/C16H28F2N2O/c1-14(2,3)20-13(21)15(8-10-19-11-9-15)12-4-6-16(17,18)7-5-12/h12,19H,4-11H2,1-3H3,(H,20,21)
InChIKeyJZSROXFSXUCPLB-UHFFFAOYSA-N
MW302.41 g/mol
LogP3.10
Rot. Bonds2

About N-tert-butyl-4-(4,4-difluorocyclohexyl)piperidine-4-carboxamide

N-tert-butyl-4-(4,4-difluorocyclohexyl)piperidine-4-carboxamide (PubChem CID 23388588) has the molecular formula C16H28F2N2O and a molecular weight of 302.41 g/mol. Its IUPAC name is N-tert-butyl-4-(4,4-difluorocyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(4,4-difluorocyclohexyl)piperidine-4-carboxamide
PubChem CID23388588
Molecular FormulaC16H28F2N2O
Molecular Weight302.41 g/mol
Exact Mass302.22
IUPAC NameN-tert-butyl-4-(4,4-difluorocyclohexyl)piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1(C2CCC(F)(F)CC2)CCNCC1
InChIInChI=1S/C16H28F2N2O/c1-14(2,3)20-13(21)15(8-10-19-11-9-15)12-4-6-16(17,18)7-5-12/h12,19H,4-11H2,1-3H3,(H,20,21)
InChIKeyJZSROXFSXUCPLB-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4,4-difluorocyclohexyl)piperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-4-(4,4-difluorocyclohexyl)piperidine-4-carboxamide (CID 23388588) is N-tert-butyl-4-(4,4-difluorocyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(4,4-difluorocyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-4-(4,4-difluorocyclohexyl)piperidine-4-carboxamide is CC(C)(C)NC(=O)C1(C2CCC(F)(F)CC2)CCNCC1.
What is the InChIKey of N-tert-butyl-4-(4,4-difluorocyclohexyl)piperidine-4-carboxamide?
The InChIKey is JZSROXFSXUCPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2O/c1-14(2,3)20-13(21)15(8-10-19-11-9-15)12-4-6-16(17,18)7-5-12/h12,19H,4-11H2,1-3H3,(H,20,21).
What are the key properties of N-tert-butyl-4-(4,4-difluorocyclohexyl)piperidine-4-carboxamide?
N-tert-butyl-4-(4,4-difluorocyclohexyl)piperidine-4-carboxamide has a molecular weight of 302.41 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4,4-difluorocyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 23388588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).