4-cyclohexyl-N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]piperidine-1-carboxamide

C25H44F2N4O — CID 156745884

IUPAC4-cyclohexyl-N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]piperidine-1-carboxamide
SMILESCC(C)N1CCN([C@H]2CCCC(F)(F)[C@@H]2NC(=O)N2CCC(C3CCCCC3)CC2)CC1
InChIInChI=1S/C25H44F2N4O/c1-19(2)29-15-17-30(18-16-29)22-9-6-12-25(26,27)23(22)28-24(32)31-13-10-21(11-14-31)20-7-4-3-5-8-20/h19-23H,3-18H2,1-2H3,(H,28,32)/t22-,23+/m0/s1
InChIKeyIQAJCEPJPFSRSS-XZOQPEGZSA-N
MW454.65 g/mol
LogP4.57
Rot. Bonds4

About 4-cyclohexyl-N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]piperidine-1-carboxamide

4-cyclohexyl-N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]piperidine-1-carboxamide (PubChem CID 156745884) has the molecular formula C25H44F2N4O and a molecular weight of 454.65 g/mol. Its IUPAC name is 4-cyclohexyl-N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]piperidine-1-carboxamide
PubChem CID156745884
Molecular FormulaC25H44F2N4O
Molecular Weight454.65 g/mol
Exact Mass454.35
IUPAC Name4-cyclohexyl-N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]piperidine-1-carboxamide
SMILESCC(C)N1CCN([C@H]2CCCC(F)(F)[C@@H]2NC(=O)N2CCC(C3CCCCC3)CC2)CC1
InChIInChI=1S/C25H44F2N4O/c1-19(2)29-15-17-30(18-16-29)22-9-6-12-25(26,27)23(22)28-24(32)31-13-10-21(11-14-31)20-7-4-3-5-8-20/h19-23H,3-18H2,1-2H3,(H,28,32)/t22-,23+/m0/s1
InChIKeyIQAJCEPJPFSRSS-XZOQPEGZSA-N
XLogP4.57
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.65
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]piperidine-1-carboxamide?
The IUPAC name of 4-cyclohexyl-N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]piperidine-1-carboxamide (CID 156745884) is 4-cyclohexyl-N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-cyclohexyl-N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]piperidine-1-carboxamide?
The canonical SMILES for 4-cyclohexyl-N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]piperidine-1-carboxamide is CC(C)N1CCN([C@H]2CCCC(F)(F)[C@@H]2NC(=O)N2CCC(C3CCCCC3)CC2)CC1.
What is the InChIKey of 4-cyclohexyl-N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]piperidine-1-carboxamide?
The InChIKey is IQAJCEPJPFSRSS-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H44F2N4O/c1-19(2)29-15-17-30(18-16-29)22-9-6-12-25(26,27)23(22)28-24(32)31-13-10-21(11-14-31)20-7-4-3-5-8-20/h19-23H,3-18H2,1-2H3,(H,28,32)/t22-,23+/m0/s1.
What are the key properties of 4-cyclohexyl-N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]piperidine-1-carboxamide?
4-cyclohexyl-N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]piperidine-1-carboxamide has a molecular weight of 454.65 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[(1R,6S)-2,2-difluoro-6-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]piperidine-1-carboxamide is sourced from PubChem (CID 156745884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).