N-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide

C26H34N2O2 — CID 127035153

IUPACN-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)C(C)c3ccc(CC(C)C)cc3)CC2)cc1
InChIInChI=1S/C26H34N2O2/c1-18(2)17-21-7-9-22(10-8-21)20(4)26(30)28-15-13-23(14-16-28)25(29)27-24-11-5-19(3)6-12-24/h5-12,18,20,23H,13-17H2,1-4H3,(H,27,29)
InChIKeyNFEUFGLHZLMBSR-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.17
Rot. Bonds6

About N-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide

N-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide (PubChem CID 127035153) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
PubChem CID127035153
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC NameN-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)C(C)c3ccc(CC(C)C)cc3)CC2)cc1
InChIInChI=1S/C26H34N2O2/c1-18(2)17-21-7-9-22(10-8-21)20(4)26(30)28-15-13-23(14-16-28)25(29)27-24-11-5-19(3)6-12-24/h5-12,18,20,23H,13-17H2,1-4H3,(H,27,29)
InChIKeyNFEUFGLHZLMBSR-UHFFFAOYSA-N
XLogP5.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
CID 127035455
1-acetyl-N-[4-(2-methylpropyl)phenyl]piperidine-4-carboxamide
CID 110792561
N-[4-[[2-[4-(2-methylpropyl)phenyl]propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 54782194
3-[4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]phenyl]propanoic acid
CID 119252463
1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006809
1-[1-(2,2-diphenylacetyl)piperidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46171987
N-(4-ethylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006644
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
1-(1-acetylpiperidin-4-yl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 42881192
ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 26288905
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
1-[(2S)-2-aminopropanoyl]-N-[(2R)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide
CID 92507931

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide (CID 127035153) is N-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)C(C)c3ccc(CC(C)C)cc3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide?
The InChIKey is NFEUFGLHZLMBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-18(2)17-21-7-9-22(10-8-21)20(4)26(30)28-15-13-23(14-16-28)25(29)27-24-11-5-19(3)6-12-24/h5-12,18,20,23H,13-17H2,1-4H3,(H,27,29).
What are the key properties of N-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide?
N-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 127035153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).