N-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide

C29H39N3O3 — CID 166782044

IUPACN-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2CC(C)C)CC1
InChIInChI=1S/C29H39N3O3/c1-20(2)13-16-30-27(33)22-14-17-32(18-15-22)29(35)25-11-7-8-12-26(25)31-28(34)24-10-6-5-9-23(24)19-21(3)4/h5-12,20-22H,13-19H2,1-4H3,(H,30,33)(H,31,34)
InChIKeyFHMIELPLLXUPDI-UHFFFAOYSA-N
MW477.65 g/mol
LogP5.15
Rot. Bonds9

About N-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide

N-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide (PubChem CID 166782044) has the molecular formula C29H39N3O3 and a molecular weight of 477.65 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide
PubChem CID166782044
Molecular FormulaC29H39N3O3
Molecular Weight477.65 g/mol
Exact Mass477.30
IUPAC NameN-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2CC(C)C)CC1
InChIInChI=1S/C29H39N3O3/c1-20(2)13-16-30-27(33)22-14-17-32(18-15-22)29(35)25-11-7-8-12-26(25)31-28(34)24-10-6-5-9-23(24)19-21(3)4/h5-12,20-22H,13-19H2,1-4H3,(H,30,33)(H,31,34)
InChIKeyFHMIELPLLXUPDI-UHFFFAOYSA-N
XLogP5.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42693604
N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005543
2-(3-methylbutoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4943602
N-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 131907011
1-[1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carbonyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 47068222
1-(4-methoxybenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 113005518
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994
1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide
CID 39938111
4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149790
1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881485
N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970642

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide (CID 166782044) is N-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide is CC(C)CCNC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2CC(C)C)CC1.
What is the InChIKey of N-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide?
The InChIKey is FHMIELPLLXUPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O3/c1-20(2)13-16-30-27(33)22-14-17-32(18-15-22)29(35)25-11-7-8-12-26(25)31-28(34)24-10-6-5-9-23(24)19-21(3)4/h5-12,20-22H,13-19H2,1-4H3,(H,30,33)(H,31,34).
What are the key properties of N-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide?
N-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide has a molecular weight of 477.65 g/mol, XLogP of 5.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 166782044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).