N-[2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C23H34F3N3O — CID 69089206

IUPACN-[2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCCC1CCCN(CC2CCCCC2NC(=O)c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C23H34F3N3O/c1-2-3-7-17-8-6-13-29(15-17)16-19-9-4-5-10-20(19)28-22(30)18-11-12-21(27-14-18)23(24,25)26/h11-12,14,17,19-20H,2-10,13,15-16H2,1H3,(H,28,30)
InChIKeyRTBGCHLAPZWPQQ-UHFFFAOYSA-N
MW425.54 g/mol
LogP5.29
Rot. Bonds7

About N-[2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 69089206) has the molecular formula C23H34F3N3O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID69089206
Molecular FormulaC23H34F3N3O
Molecular Weight425.54 g/mol
Exact Mass425.27
IUPAC NameN-[2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCCC1CCCN(CC2CCCCC2NC(=O)c2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C23H34F3N3O/c1-2-3-7-17-8-6-13-29(15-17)16-19-9-4-5-10-20(19)28-22(30)18-11-12-21(27-14-18)23(24,25)26/h11-12,14,17,19-20H,2-10,13,15-16H2,1H3,(H,28,30)
InChIKeyRTBGCHLAPZWPQQ-UHFFFAOYSA-N
XLogP5.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butanimidoyl-N-[2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]benzamide
CID 174592791
N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-4-imidazol-1-ylbenzamide
CID 59007499
N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-4-(1,3-oxazol-5-yl)benzamide;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;4-(1,3-oxazol-5-yl)benzoic acid;hydrochloride
CID 160559334
N-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 62359230
4-(aminomethyl)-N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]benzamide
CID 59007507
tert-butyl N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]carbamate;cis-(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexan-1-amine;hydrochloride
CID 158128680
N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126856476
tert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate
CID 143571188
6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 69039593
N-[(1R,2S)-2-[[(3R)-3-ethoxypiperidin-1-yl]methyl]cyclohexyl]pyrazine-2-carboxamide
CID 59007553
cis-(1R,2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;N-[(1R,2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]-4-imidazol-1-ylbenzamide;4-imidazol-1-ylbenzoic acid;hydrochloride
CID 162080390
N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 59007447

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 69089206) is N-[2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CCCCC1CCCN(CC2CCCCC2NC(=O)c2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of N-[2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is RTBGCHLAPZWPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F3N3O/c1-2-3-7-17-8-6-13-29(15-17)16-19-9-4-5-10-20(19)28-22(30)18-11-12-21(27-14-18)23(24,25)26/h11-12,14,17,19-20H,2-10,13,15-16H2,1H3,(H,28,30).
What are the key properties of N-[2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 69089206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).