4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide

C25H29N3O3 — CID 46442929

IUPAC4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1
InChIInChI=1S/C25H29N3O3/c1-16-13-17(2)15-28(14-16)25(31)21-5-3-4-6-22(21)27-24(30)19-9-11-20(12-10-19)26-23(29)18-7-8-18/h3-6,9-12,16-18H,7-8,13-15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeySHONEHGMOBRNSE-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.41
Rot. Bonds5

About 4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide

4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide (PubChem CID 46442929) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide
PubChem CID46442929
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1
InChIInChI=1S/C25H29N3O3/c1-16-13-17(2)15-28(14-16)25(31)21-5-3-4-6-22(21)27-24(30)19-9-11-20(12-10-19)26-23(29)18-7-8-18/h3-6,9-12,16-18H,7-8,13-15H2,1-2H3,(H,26,29)(H,27,30)
InChIKeySHONEHGMOBRNSE-UHFFFAOYSA-N
XLogP4.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetylphenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 112760957
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 51942835
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 51942841
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
4-fluoro-N-[2-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]benzamide
CID 7299794
5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 46437154
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]phenyl]benzamide
CID 46446186
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
CID 4939305
4-(cyclopropanecarbonylamino)-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 55359299
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzamide
CID 42888700

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide (CID 46442929) is 4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide is CC1CC(C)CN(C(=O)c2ccccc2NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is SHONEHGMOBRNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-16-13-17(2)15-28(14-16)25(31)21-5-3-4-6-22(21)27-24(30)19-9-11-20(12-10-19)26-23(29)18-7-8-18/h3-6,9-12,16-18H,7-8,13-15H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 419.53 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 46442929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).