N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C27H38F3N3O5 — CID 146062871

IUPACN-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H37N3O3.C2HF3O2/c1-25(2,3)24(31)27-21-11-9-20(10-12-21)23(30)28-15-13-19(14-16-28)22(29)26-17-18-7-5-4-6-8-18;3-2(4,5)1(6)7/h9-12,18-19H,4-8,13-17H2,1-3H3,(H,26,29)(H,27,31);(H,6,7)
InChIKeyJKQFPGCGNBJFAH-UHFFFAOYSA-N
MW541.61 g/mol
LogP4.85
Rot. Bonds5

About N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 146062871) has the molecular formula C27H38F3N3O5 and a molecular weight of 541.61 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID146062871
Molecular FormulaC27H38F3N3O5
Molecular Weight541.61 g/mol
Exact Mass541.28
IUPAC NameN-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H37N3O3.C2HF3O2/c1-25(2,3)24(31)27-21-11-9-20(10-12-21)23(30)28-15-13-19(14-16-28)22(29)26-17-18-7-5-4-6-8-18;3-2(4,5)1(6)7/h9-12,18-19H,4-8,13-17H2,1-3H3,(H,26,29)(H,27,31);(H,6,7)
InChIKeyJKQFPGCGNBJFAH-UHFFFAOYSA-N
XLogP4.85
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.61
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 20972987
(3R)-N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 92728997
1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-propylpiperidine-4-carboxamide
CID 20973017
2,2,2-trifluoro-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 62491616
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
(3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 92728911
N-[3-[4-(azepane-1-carbonyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 47063381
1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
CID 46387307
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
N-butyl-1-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 146071605
N-[[1-[4-(propan-2-ylcarbamoylamino)benzoyl]piperidin-4-yl]methyl]acetamide
CID 55843750
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 146062871) is N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is CC(C)(C)C(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JKQFPGCGNBJFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3.C2HF3O2/c1-25(2,3)24(31)27-21-11-9-20(10-12-21)23(30)28-15-13-19(14-16-28)22(29)26-17-18-7-5-4-6-8-18;3-2(4,5)1(6)7/h9-12,18-19H,4-8,13-17H2,1-3H3,(H,26,29)(H,27,31);(H,6,7).
What are the key properties of N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 541.61 g/mol, XLogP of 4.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146062871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).