N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide

C23H28ClN3O3 — CID 56586390

IUPACN-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NCCCNc2ccccc2)CC1
InChIInChI=1S/C23H28ClN3O3/c1-30-21-9-8-18(24)16-20(21)23(29)27-14-10-17(11-15-27)22(28)26-13-5-12-25-19-6-3-2-4-7-19/h2-4,6-9,16-17,25H,5,10-15H2,1H3,(H,26,28)
InChIKeyWVADALCRCVQFAB-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.82
Rot. Bonds8

About N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide

N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide (PubChem CID 56586390) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
PubChem CID56586390
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC NameN-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NCCCNc2ccccc2)CC1
InChIInChI=1S/C23H28ClN3O3/c1-30-21-9-8-18(24)16-20(21)23(29)27-14-10-17(11-15-27)22(28)26-13-5-12-25-19-6-3-2-4-7-19/h2-4,6-9,16-17,25H,5,10-15H2,1H3,(H,26,28)
InChIKeyWVADALCRCVQFAB-UHFFFAOYSA-N
XLogP3.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide 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

1-(5-chloro-2-methoxybenzoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 55622930
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788299
1-(5-chloro-2-methoxybenzoyl)-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 55899749
N-(1-benzylpiperidin-3-yl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 55653629
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
1-(5-chloro-2-methoxybenzoyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 55624520
1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide
CID 47865084
1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974724
1-(5-chloro-2-fluorobenzoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55779052
1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide
CID 39938111

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide (CID 56586390) is N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NCCCNc2ccccc2)CC1.
What is the InChIKey of N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is WVADALCRCVQFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-30-21-9-8-18(24)16-20(21)23(29)27-14-10-17(11-15-27)22(28)26-13-5-12-25-19-6-3-2-4-7-19/h2-4,6-9,16-17,25H,5,10-15H2,1H3,(H,26,28).
What are the key properties of N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide?
N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 429.95 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 56586390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).