5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide

C28H37N3O2 — CID 3689209

IUPAC5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
SMILESCC1CCN(c2ccc(NC(=O)C3CCCCC3)cc2C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C28H37N3O2/c1-20-15-17-31(18-16-20)26-14-13-24(30-27(32)23-11-7-4-8-12-23)19-25(26)28(33)29-21(2)22-9-5-3-6-10-22/h3,5-6,9-10,13-14,19-21,23H,4,7-8,11-12,15-18H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyZLCLYSCUGQMKSP-UHFFFAOYSA-N
MW447.62 g/mol
LogP5.93
Rot. Bonds6

About 5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide

5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide (PubChem CID 3689209) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is 5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
PubChem CID3689209
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC Name5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
SMILESCC1CCN(c2ccc(NC(=O)C3CCCCC3)cc2C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C28H37N3O2/c1-20-15-17-31(18-16-20)26-14-13-24(30-27(32)23-11-7-4-8-12-23)19-25(26)28(33)29-21(2)22-9-5-3-6-10-22/h3,5-6,9-10,13-14,19-21,23H,4,7-8,11-12,15-18H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyZLCLYSCUGQMKSP-UHFFFAOYSA-N
XLogP5.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.62
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(cyclopentanecarbonylamino)-N-(1-phenylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4302444
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-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4691475
2-(4-methylpiperidin-1-yl)-N-[(1S)-1-phenylethyl]-5-[(2-phenylsulfanylacetyl)amino]benzamide
CID 92907888
tert-butyl 4-[[3-(1-phenylethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate
CID 46185969
2,6-dimethoxy-N-[4-(4-methylpiperidin-1-yl)-3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 3884953
5-[(2-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 5166911
N-[4-(4-methylpiperidin-1-yl)-3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]naphthalene-1-carboxamide
CID 93098297
2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 7301589
5-[(2,3-dichlorophenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 3395530
5-benzamido-N-[(1S)-1-phenylethyl]-2-pyrrolidin-1-ylbenzamide
CID 1063350

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide?
The IUPAC name of 5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide (CID 3689209) is 5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide?
The canonical SMILES for 5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide is CC1CCN(c2ccc(NC(=O)C3CCCCC3)cc2C(=O)NC(C)c2ccccc2)CC1.
What is the InChIKey of 5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide?
The InChIKey is ZLCLYSCUGQMKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-20-15-17-31(18-16-20)26-14-13-24(30-27(32)23-11-7-4-8-12-23)19-25(26)28(33)29-21(2)22-9-5-3-6-10-22/h3,5-6,9-10,13-14,19-21,23H,4,7-8,11-12,15-18H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of 5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide?
5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide has a molecular weight of 447.62 g/mol, XLogP of 5.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 3689209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).