5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide

C29H34N4O2 — CID 4544278

IUPAC5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
SMILESCc1ccc(NC(=O)Nc2ccc(N3CCCCC3)c(C(=O)NC(C)c3ccccc3)c2)c(C)c1
InChIInChI=1S/C29H34N4O2/c1-20-12-14-26(21(2)18-20)32-29(35)31-24-13-15-27(33-16-8-5-9-17-33)25(19-24)28(34)30-22(3)23-10-6-4-7-11-23/h4,6-7,10-15,18-19,22H,5,8-9,16-17H2,1-3H3,(H,30,34)(H2,31,32,35)
InChIKeyYCRJQWZABGTEDP-UHFFFAOYSA-N
MW470.62 g/mol
LogP6.43
Rot. Bonds6

About 5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide

5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide (PubChem CID 4544278) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
PubChem CID4544278
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
SMILESCc1ccc(NC(=O)Nc2ccc(N3CCCCC3)c(C(=O)NC(C)c3ccccc3)c2)c(C)c1
InChIInChI=1S/C29H34N4O2/c1-20-12-14-26(21(2)18-20)32-29(35)31-24-13-15-27(33-16-8-5-9-17-33)25(19-24)28(34)30-22(3)23-10-6-4-7-11-23/h4,6-7,10-15,18-19,22H,5,8-9,16-17H2,1-3H3,(H,30,34)(H2,31,32,35)
InChIKeyYCRJQWZABGTEDP-UHFFFAOYSA-N
XLogP6.43
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 ≤ 56.43
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-[(2,6-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 3965125
5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 5166911
5-[[(2S)-2-chloropropanoyl]amino]-N-[(1S)-1-phenylethyl]-2-piperidin-1-ylbenzamide
CID 1066160
5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide
CID 1063350
5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4691475
5-[(4-ethoxyphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]-2-piperidin-1-ylbenzamide
CID 93099771
5-(2,2-dimethylpropanoylamino)-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4302250
1-(2,4-dimethylphenyl)-3-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 1065200
N-[(2R)-butan-2-yl]-5-[(2-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065146
5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4302444
5-(3,3-dimethylbutanoylamino)-N-[(1S)-1-phenylethyl]-2-piperidin-1-ylbenzamide
CID 1066129
2-chloro-N-[3-[(2,4-dimethylphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]benzamide
CID 46326600

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide (CID 4544278) is 5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide is Cc1ccc(NC(=O)Nc2ccc(N3CCCCC3)c(C(=O)NC(C)c3ccccc3)c2)c(C)c1.
What is the InChIKey of 5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide?
The InChIKey is YCRJQWZABGTEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-20-12-14-26(21(2)18-20)32-29(35)31-24-13-15-27(33-16-8-5-9-17-33)25(19-24)28(34)30-22(3)23-10-6-4-7-11-23/h4,6-7,10-15,18-19,22H,5,8-9,16-17H2,1-3H3,(H,30,34)(H2,31,32,35).
What are the key properties of 5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide?
5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide has a molecular weight of 470.62 g/mol, XLogP of 6.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 4544278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).