5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide

C29H34N4O2 — CID 5166911

IUPAC5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
SMILESCc1ccccc1NC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C29H34N4O2/c1-20-15-17-33(18-16-20)27-14-13-24(31-29(35)32-26-12-8-7-9-21(26)2)19-25(27)28(34)30-22(3)23-10-5-4-6-11-23/h4-14,19-20,22H,15-18H2,1-3H3,(H,30,34)(H2,31,32,35)
InChIKeyBKIQRFGFLVHQTN-UHFFFAOYSA-N
MW470.62 g/mol
LogP6.37
Rot. Bonds6

About 5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide

5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide (PubChem CID 5166911) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
PubChem CID5166911
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
SMILESCc1ccccc1NC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C29H34N4O2/c1-20-15-17-33(18-16-20)27-14-13-24(31-29(35)32-26-12-8-7-9-21(26)2)19-25(27)28(34)30-22(3)23-10-5-4-6-11-23/h4-14,19-20,22H,15-18H2,1-3H3,(H,30,34)(H2,31,32,35)
InChIKeyBKIQRFGFLVHQTN-UHFFFAOYSA-N
XLogP6.37
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 56.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4691475
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3395530
5-[[(2S)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 1063492
5-[(2,2-dichloroacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4299183
5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4544278
5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3689209
2-(4-methylpiperidin-1-yl)-N-[(1S)-1-phenylethyl]-5-[(2-phenylsulfanylacetyl)amino]benzamide
CID 92907888
5-[(2,6-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 3965125
2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 3884953
2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 7301589
N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide
CID 93098297
5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42662041

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide?
The IUPAC name of 5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide (CID 5166911) is 5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide?
The canonical SMILES for 5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide is Cc1ccccc1NC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide?
The InChIKey is BKIQRFGFLVHQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-20-15-17-33(18-16-20)27-14-13-24(31-29(35)32-26-12-8-7-9-21(26)2)19-25(27)28(34)30-22(3)23-10-5-4-6-11-23/h4-14,19-20,22H,15-18H2,1-3H3,(H,30,34)(H2,31,32,35).
What are the key properties of 5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide?
5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide has a molecular weight of 470.62 g/mol, XLogP of 6.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 5166911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).