(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide

C24H34N3O+ — CID 8878010

IUPAC(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCCC(CC)c1cc[n+]([C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C24H33N3O/c1-4-20(5-2)21-13-17-26(18-14-21)19(3)24(28)25-22-9-11-23(12-10-22)27-15-7-6-8-16-27/h9-14,17-20H,4-8,15-16H2,1-3H3/p+1/t19-/m1/s1
InChIKeyHCAZPMSJADFQHE-LJQANCHMSA-O
MW380.56 g/mol
LogP5.07
Rot. Bonds7

About (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide

(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 8878010) has the molecular formula C24H34N3O+ and a molecular weight of 380.56 g/mol. Its IUPAC name is (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID8878010
Molecular FormulaC24H34N3O+
Molecular Weight380.56 g/mol
Exact Mass380.27
IUPAC Name(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCCC(CC)c1cc[n+]([C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C24H33N3O/c1-4-20(5-2)21-13-17-26(18-14-21)19(3)24(28)25-22-9-11-23(12-10-22)27-15-7-6-8-16-27/h9-14,17-20H,4-8,15-16H2,1-3H3/p+1/t19-/m1/s1
InChIKeyHCAZPMSJADFQHE-LJQANCHMSA-O
XLogP5.07
TPSA36.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.56
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide 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

(2R)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 8858744
N-[4-(azepan-1-yl)phenyl]-2-bromobutanamide
CID 62855929
2-bromo-N-(4-piperidin-1-ylphenyl)butanamide
CID 62856119
(2S)-2-amino-N-[4-(azepan-1-yl)phenyl]butanamide
CID 79022944
1-(4-pentan-3-ylphenyl)piperidine
CID 170127380
3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 62727759
(2S)-N-[4-(azepan-1-yl)phenyl]-2-chloropropanamide
CID 51869081
(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178
1-(4-pentan-3-ylphenyl)pyrrolidine
CID 168513845
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60661179
N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide
CID 108505469
(2R)-2-amino-N-[4-(azepan-1-yl)phenyl]-3-methylbutanamide
CID 79011906

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide (CID 8878010) is (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide is CCC(CC)c1cc[n+]([C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is HCAZPMSJADFQHE-LJQANCHMSA-O. The full InChI is InChI=1S/C24H33N3O/c1-4-20(5-2)21-13-17-26(18-14-21)19(3)24(28)25-22-9-11-23(12-10-22)27-15-7-6-8-16-27/h9-14,17-20H,4-8,15-16H2,1-3H3/p+1/t19-/m1/s1.
What are the key properties of (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide?
(2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 380.56 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-pentan-3-ylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 8878010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).