N-(4,4-difluorocyclohexyl)-4-(4-ethyl-1H-carbazol-1-yl)piperidine-1-carboxamide

C26H31F2N3O — CID 150479035

IUPACN-(4,4-difluorocyclohexyl)-4-(4-ethyl-1H-carbazol-1-yl)piperidine-1-carboxamide
SMILESCCC1=C2C(=Nc3ccccc32)C(C2CCN(C(=O)NC3CCC(F)(F)CC3)CC2)C=C1
InChIInChI=1S/C26H31F2N3O/c1-2-17-7-8-20(24-23(17)21-5-3-4-6-22(21)30-24)18-11-15-31(16-12-18)25(32)29-19-9-13-26(27,28)14-10-19/h3-8,18-20H,2,9-16H2,1H3,(H,29,32)
InChIKeyHTKODNJATDMMNO-UHFFFAOYSA-N
MW439.55 g/mol
LogP6.12
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-4-(4-ethyl-1H-carbazol-1-yl)piperidine-1-carboxamide

N-(4,4-difluorocyclohexyl)-4-(4-ethyl-1H-carbazol-1-yl)piperidine-1-carboxamide (PubChem CID 150479035) has the molecular formula C26H31F2N3O and a molecular weight of 439.55 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-4-(4-ethyl-1H-carbazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-4-(4-ethyl-1H-carbazol-1-yl)piperidine-1-carboxamide
PubChem CID150479035
Molecular FormulaC26H31F2N3O
Molecular Weight439.55 g/mol
Exact Mass439.24
IUPAC NameN-(4,4-difluorocyclohexyl)-4-(4-ethyl-1H-carbazol-1-yl)piperidine-1-carboxamide
SMILESCCC1=C2C(=Nc3ccccc32)C(C2CCN(C(=O)NC3CCC(F)(F)CC3)CC2)C=C1
InChIInChI=1S/C26H31F2N3O/c1-2-17-7-8-20(24-23(17)21-5-3-4-6-22(21)30-24)18-11-15-31(16-12-18)25(32)29-19-9-13-26(27,28)14-10-19/h3-8,18-20H,2,9-16H2,1H3,(H,29,32)
InChIKeyHTKODNJATDMMNO-UHFFFAOYSA-N
XLogP6.12
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.55
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-4-(4-ethyl-1H-carbazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-4-(4-ethyl-1H-carbazol-1-yl)piperidine-1-carboxamide (CID 150479035) is N-(4,4-difluorocyclohexyl)-4-(4-ethyl-1H-carbazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-4-(4-ethyl-1H-carbazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-4-(4-ethyl-1H-carbazol-1-yl)piperidine-1-carboxamide is CCC1=C2C(=Nc3ccccc32)C(C2CCN(C(=O)NC3CCC(F)(F)CC3)CC2)C=C1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-4-(4-ethyl-1H-carbazol-1-yl)piperidine-1-carboxamide?
The InChIKey is HTKODNJATDMMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N3O/c1-2-17-7-8-20(24-23(17)21-5-3-4-6-22(21)30-24)18-11-15-31(16-12-18)25(32)29-19-9-13-26(27,28)14-10-19/h3-8,18-20H,2,9-16H2,1H3,(H,29,32).
What are the key properties of N-(4,4-difluorocyclohexyl)-4-(4-ethyl-1H-carbazol-1-yl)piperidine-1-carboxamide?
N-(4,4-difluorocyclohexyl)-4-(4-ethyl-1H-carbazol-1-yl)piperidine-1-carboxamide has a molecular weight of 439.55 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-4-(4-ethyl-1H-carbazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 150479035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).