N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(4-fluorophenyl)-1-propan-2-ylpiperidine

C31H50FN3O2 — CID 142165683

IUPACN-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(4-fluorophenyl)-1-propan-2-ylpiperidine
SMILESCC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C=O)CC1.CC(C)N1CCC[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C17H30N2O2.C14H20FN/c1-16(2,3)18-15(21)17(14-7-5-4-6-8-14)9-11-19(13-20)12-10-17;1-11(2)16-9-3-4-13(10-16)12-5-7-14(15)8-6-12/h13-14H,4-12H2,1-3H3,(H,18,21);5-8,11,13H,3-4,9-10H2,1-2H3/t;13-/m.0/s1
InChIKeyCBAIIYNAOPZMCB-RSJBZBQMSA-N
MW515.76 g/mol
LogP6.13
Rot. Bonds5

About N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(4-fluorophenyl)-1-propan-2-ylpiperidine

N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(4-fluorophenyl)-1-propan-2-ylpiperidine (PubChem CID 142165683) has the molecular formula C31H50FN3O2 and a molecular weight of 515.76 g/mol. Its IUPAC name is N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(4-fluorophenyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound NameN-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(4-fluorophenyl)-1-propan-2-ylpiperidine
PubChem CID142165683
Molecular FormulaC31H50FN3O2
Molecular Weight515.76 g/mol
Exact Mass515.39
IUPAC NameN-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(4-fluorophenyl)-1-propan-2-ylpiperidine
SMILESCC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C=O)CC1.CC(C)N1CCC[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C17H30N2O2.C14H20FN/c1-16(2,3)18-15(21)17(14-7-5-4-6-8-14)9-11-19(13-20)12-10-17;1-11(2)16-9-3-4-13(10-16)12-5-7-14(15)8-6-12/h13-14H,4-12H2,1-3H3,(H,18,21);5-8,11,13H,3-4,9-10H2,1-2H3/t;13-/m.0/s1
InChIKeyCBAIIYNAOPZMCB-RSJBZBQMSA-N
XLogP6.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.76
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine;molecular hydrogen
CID 142165696
N-tert-butyl-4-cyclohexyl-1-[(2R)-3-(4-fluorophenyl)-2-methylpropanoyl]piperidine-4-carboxamide
CID 59877493
N-tert-butyl-4-cyclohexyl-1-[(3R,4R)-1-ethyl-3-(4-fluorophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide
CID 10300581
(3S)-3-(4-fluorophenyl)-1-propan-2-ylpyrrolidine
CID 166826823
N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-propan-2-yl-1,4-diazabicyclo[2.2.2]octane-2-carboxamide
CID 10211053
N-tert-butyl-4-cyclohexyl-1-[(2R)-2-[[(2R,4R)-2,4-dimethyl-7-(propan-2-ylamino)heptanoyl]amino]-3-(4-fluorophenyl)propanoyl]piperidine-4-carboxamide
CID 71054159
(2S)-4-(2-aminopropanoyl)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]piperazine-2-carboxamide
CID 10211121
(2R)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methylpiperazine-2-carboxamide;dihydrochloride
CID 90664642
(2S,5S)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-cyclopropylpiperazine-2-carboxamide;dihydrochloride
CID 45263244
(1S,4R,6R)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-azabicyclo[2.2.2]octane-6-carboxamide
CID 71452720
N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-3,3-dimethylpiperazine-1-carboxamide
CID 10053790
1-propan-2-yl-3-(4-propan-2-ylphenyl)piperidine
CID 118284645

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(4-fluorophenyl)-1-propan-2-ylpiperidine?
The IUPAC name of N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(4-fluorophenyl)-1-propan-2-ylpiperidine (CID 142165683) is N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(4-fluorophenyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(4-fluorophenyl)-1-propan-2-ylpiperidine?
The canonical SMILES for N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(4-fluorophenyl)-1-propan-2-ylpiperidine is CC(C)(C)NC(=O)C1(C2CCCCC2)CCN(C=O)CC1.CC(C)N1CCC[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(4-fluorophenyl)-1-propan-2-ylpiperidine?
The InChIKey is CBAIIYNAOPZMCB-RSJBZBQMSA-N. The full InChI is InChI=1S/C17H30N2O2.C14H20FN/c1-16(2,3)18-15(21)17(14-7-5-4-6-8-14)9-11-19(13-20)12-10-17;1-11(2)16-9-3-4-13(10-16)12-5-7-14(15)8-6-12/h13-14H,4-12H2,1-3H3,(H,18,21);5-8,11,13H,3-4,9-10H2,1-2H3/t;13-/m.0/s1.
What are the key properties of N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(4-fluorophenyl)-1-propan-2-ylpiperidine?
N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(4-fluorophenyl)-1-propan-2-ylpiperidine has a molecular weight of 515.76 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(4-fluorophenyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 142165683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).