N-tert-butyl-4-cyclohexyl-1-[(3R,4R)-1-ethyl-3-(4-fluorophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide

C30H46FN3O2 — CID 10300581

IUPACN-tert-butyl-4-cyclohexyl-1-[(3R,4R)-1-ethyl-3-(4-fluorophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESCCN1CC[C@@H](C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C30H46FN3O2/c1-5-33-18-15-25(26(21-33)22-11-13-24(31)14-12-22)27(35)34-19-16-30(17-20-34,23-9-7-6-8-10-23)28(36)32-29(2,3)4/h11-14,23,25-26H,5-10,15-21H2,1-4H3,(H,32,36)/t25-,26+/m1/s1
InChIKeyKNBARVOBYLRMMT-FTJBHMTQSA-N
MW499.72 g/mol
LogP5.35
Rot. Bonds5

About N-tert-butyl-4-cyclohexyl-1-[(3R,4R)-1-ethyl-3-(4-fluorophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide

N-tert-butyl-4-cyclohexyl-1-[(3R,4R)-1-ethyl-3-(4-fluorophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide (PubChem CID 10300581) has the molecular formula C30H46FN3O2 and a molecular weight of 499.72 g/mol. Its IUPAC name is N-tert-butyl-4-cyclohexyl-1-[(3R,4R)-1-ethyl-3-(4-fluorophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-cyclohexyl-1-[(3R,4R)-1-ethyl-3-(4-fluorophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide
PubChem CID10300581
Molecular FormulaC30H46FN3O2
Molecular Weight499.72 g/mol
Exact Mass499.36
IUPAC NameN-tert-butyl-4-cyclohexyl-1-[(3R,4R)-1-ethyl-3-(4-fluorophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESCCN1CC[C@@H](C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C30H46FN3O2/c1-5-33-18-15-25(26(21-33)22-11-13-24(31)14-12-22)27(35)34-19-16-30(17-20-34,23-9-7-6-8-10-23)28(36)32-29(2,3)4/h11-14,23,25-26H,5-10,15-21H2,1-4H3,(H,32,36)/t25-,26+/m1/s1
InChIKeyKNBARVOBYLRMMT-FTJBHMTQSA-N
XLogP5.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.72
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-4-cyclohexyl-1-[(3R,4R)-1-ethyl-3-(4-fluorophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-tert-butyl-4-cyclohexyl-1-[(2R)-3-(4-fluorophenyl)-2-methylpropanoyl]piperidine-4-carboxamide
CID 59877493
N-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 159553571
N-tert-butyl-4-cyclohexyl-1-formylpiperidine-4-carboxamide;(3R)-3-(4-fluorophenyl)-1-propan-2-ylpiperidine
CID 142165683
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
(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
(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
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
tert-butyl 6-[[1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]carbamoyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 21061068
CID 142117260
CID 142117260
(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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-cyclohexyl-1-[(3R,4R)-1-ethyl-3-(4-fluorophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-4-cyclohexyl-1-[(3R,4R)-1-ethyl-3-(4-fluorophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide (CID 10300581) is N-tert-butyl-4-cyclohexyl-1-[(3R,4R)-1-ethyl-3-(4-fluorophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-4-cyclohexyl-1-[(3R,4R)-1-ethyl-3-(4-fluorophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-4-cyclohexyl-1-[(3R,4R)-1-ethyl-3-(4-fluorophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide is CCN1CC[C@@H](C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of N-tert-butyl-4-cyclohexyl-1-[(3R,4R)-1-ethyl-3-(4-fluorophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is KNBARVOBYLRMMT-FTJBHMTQSA-N. The full InChI is InChI=1S/C30H46FN3O2/c1-5-33-18-15-25(26(21-33)22-11-13-24(31)14-12-22)27(35)34-19-16-30(17-20-34,23-9-7-6-8-10-23)28(36)32-29(2,3)4/h11-14,23,25-26H,5-10,15-21H2,1-4H3,(H,32,36)/t25-,26+/m1/s1.
What are the key properties of N-tert-butyl-4-cyclohexyl-1-[(3R,4R)-1-ethyl-3-(4-fluorophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide?
N-tert-butyl-4-cyclohexyl-1-[(3R,4R)-1-ethyl-3-(4-fluorophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 499.72 g/mol, XLogP of 5.35, 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-[(3R,4R)-1-ethyl-3-(4-fluorophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 10300581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).