3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide

C24H29N3O2 — CID 109052385

IUPAC3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCC1CCN(C(=O)c2cccc(C(=O)Nc3ccc(N4CCCC4)cc3)c2)CC1
InChIInChI=1S/C24H29N3O2/c1-18-11-15-27(16-12-18)24(29)20-6-4-5-19(17-20)23(28)25-21-7-9-22(10-8-21)26-13-2-3-14-26/h4-10,17-18H,2-3,11-16H2,1H3,(H,25,28)
InChIKeyVZDUKVIYHUNZMX-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.41
Rot. Bonds4

About 3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide

3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 109052385) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID109052385
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCC1CCN(C(=O)c2cccc(C(=O)Nc3ccc(N4CCCC4)cc3)c2)CC1
InChIInChI=1S/C24H29N3O2/c1-18-11-15-27(16-12-18)24(29)20-6-4-5-19(17-20)23(28)25-21-7-9-22(10-8-21)26-13-2-3-14-26/h4-10,17-18H,2-3,11-16H2,1H3,(H,25,28)
InChIKeyVZDUKVIYHUNZMX-UHFFFAOYSA-N
XLogP4.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
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

3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052099
N-(3,5-dimethylphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052336
3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109052369
N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052372
3-N-[4-(4-methylpiperidin-1-yl)phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 109050431
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 4019473
3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 109051577
3-N-tert-butyl-1-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056053
3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109050480
3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056054
3-methyl-N-[4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54843132
1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 110298371

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 109052385) is 3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide is CC1CCN(C(=O)c2cccc(C(=O)Nc3ccc(N4CCCC4)cc3)c2)CC1.
What is the InChIKey of 3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is VZDUKVIYHUNZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18-11-15-27(16-12-18)24(29)20-6-4-5-19(17-20)23(28)25-21-7-9-22(10-8-21)26-13-2-3-14-26/h4-10,17-18H,2-3,11-16H2,1H3,(H,25,28).
What are the key properties of 3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide?
3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 391.51 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 109052385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).