2-cyclohexyl-1-(2,6-difluorobenzoyl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3-carboxamide

C28H32F2N2O2 — CID 77425286

IUPAC2-cyclohexyl-1-(2,6-difluorobenzoyl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)C1CCCN(C(=O)c2c(F)cccc2F)C1C1CCCCC1
InChIInChI=1S/C28H32F2N2O2/c29-23-12-5-13-24(30)25(23)28(34)32-16-6-11-22(26(32)19-7-2-1-3-8-19)27(33)31-21-15-14-18-9-4-10-20(18)17-21/h5,12-15,17,19,22,26H,1-4,6-11,16H2,(H,31,33)
InChIKeyUXAOZTQZJNNPNK-UHFFFAOYSA-N
MW466.57 g/mol
LogP5.89
Rot. Bonds4

About 2-cyclohexyl-1-(2,6-difluorobenzoyl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3-carboxamide

2-cyclohexyl-1-(2,6-difluorobenzoyl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3-carboxamide (PubChem CID 77425286) has the molecular formula C28H32F2N2O2 and a molecular weight of 466.57 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2,6-difluorobenzoyl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-1-(2,6-difluorobenzoyl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3-carboxamide
PubChem CID77425286
Molecular FormulaC28H32F2N2O2
Molecular Weight466.57 g/mol
Exact Mass466.24
IUPAC Name2-cyclohexyl-1-(2,6-difluorobenzoyl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)C1CCCN(C(=O)c2c(F)cccc2F)C1C1CCCCC1
InChIInChI=1S/C28H32F2N2O2/c29-23-12-5-13-24(30)25(23)28(34)32-16-6-11-22(26(32)19-7-2-1-3-8-19)27(33)31-21-15-14-18-9-4-10-20(18)17-21/h5,12-15,17,19,22,26H,1-4,6-11,16H2,(H,31,33)
InChIKeyUXAOZTQZJNNPNK-UHFFFAOYSA-N
XLogP5.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.57
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide
CID 129074370
2-amino-N-(2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxamide
CID 64817762
(2R,3S)-2-[4-(cyclopentylamino)phenyl]-N-[3-(1,1-difluoroethyl)-4-methylphenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 46830716
2-N-(2,3-dihydro-1H-inden-5-yl)cyclobutane-1,2-dicarboxamide
CID 122134376
propyl 4-[(2S,3S)-3-[(3-tert-butylphenyl)carbamoyl]-1-(2-fluoro-6-methylbenzoyl)piperidin-2-yl]cyclohexane-1-carboxylate
CID 70826647
N-(2,3-dihydro-1H-inden-5-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42908057
(2R)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 126604008
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 6468881
(2R)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 121381991
(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 59376161
cyclopentyl-[4-[(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-3-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-2-yl]phenyl]-oxoazanium
CID 156738073
(2R)-2-[4-(cyclopentylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 130231869

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2,6-difluorobenzoyl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3-carboxamide?
The IUPAC name of 2-cyclohexyl-1-(2,6-difluorobenzoyl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3-carboxamide (CID 77425286) is 2-cyclohexyl-1-(2,6-difluorobenzoyl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for 2-cyclohexyl-1-(2,6-difluorobenzoyl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3-carboxamide?
The canonical SMILES for 2-cyclohexyl-1-(2,6-difluorobenzoyl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3-carboxamide is O=C(Nc1ccc2c(c1)CCC2)C1CCCN(C(=O)c2c(F)cccc2F)C1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(2,6-difluorobenzoyl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3-carboxamide?
The InChIKey is UXAOZTQZJNNPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2N2O2/c29-23-12-5-13-24(30)25(23)28(34)32-16-6-11-22(26(32)19-7-2-1-3-8-19)27(33)31-21-15-14-18-9-4-10-20(18)17-21/h5,12-15,17,19,22,26H,1-4,6-11,16H2,(H,31,33).
What are the key properties of 2-cyclohexyl-1-(2,6-difluorobenzoyl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3-carboxamide?
2-cyclohexyl-1-(2,6-difluorobenzoyl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3-carboxamide has a molecular weight of 466.57 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2,6-difluorobenzoyl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 77425286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).