3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide

C24H37N3O2 — CID 55782171

IUPAC3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
SMILESCC1CC(C)CN(CCCNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)C1
InChIInChI=1S/C24H37N3O2/c1-18-14-19(2)17-27(16-18)13-7-12-25-23(28)21-10-6-11-22(15-21)26-24(29)20-8-4-3-5-9-20/h6,10-11,15,18-20H,3-5,7-9,12-14,16-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyRWIAQDYXCCMHIZ-UHFFFAOYSA-N
MW399.58 g/mol
LogP4.30
Rot. Bonds7

About 3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide

3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide (PubChem CID 55782171) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
PubChem CID55782171
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
SMILESCC1CC(C)CN(CCCNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)C1
InChIInChI=1S/C24H37N3O2/c1-18-14-19(2)17-27(16-18)13-7-12-25-23(28)21-10-6-11-22(15-21)26-24(29)20-8-4-3-5-9-20/h6,10-11,15,18-20H,3-5,7-9,12-14,16-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyRWIAQDYXCCMHIZ-UHFFFAOYSA-N
XLogP4.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956
3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392891
3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide
CID 119508589
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 94141666
3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392890
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-nitrobenzamide
CID 51525726
3-(cyclohexanecarbonylamino)-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39515028
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 55847760
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide
CID 94123444
3-(cyclohexanecarbonylamino)-N-(2-hydroxypropyl)benzamide
CID 78866245
1-[3-(4-tert-butylbenzoyl)phenyl]-3-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]thiourea
CID 100737360
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide (CID 55782171) is 3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide is CC1CC(C)CN(CCCNC(=O)c2cccc(NC(=O)C3CCCCC3)c2)C1.
What is the InChIKey of 3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide?
The InChIKey is RWIAQDYXCCMHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-18-14-19(2)17-27(16-18)13-7-12-25-23(28)21-10-6-11-22(15-21)26-24(29)20-8-4-3-5-9-20/h6,10-11,15,18-20H,3-5,7-9,12-14,16-17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide?
3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide has a molecular weight of 399.58 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 55782171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).