N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide

C24H26ClN3O2 — CID 46376376

IUPACN-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
SMILESCC(C(=O)NCc1ccccc1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C24H26ClN3O2/c1-16(23(29)26-15-17-5-3-2-4-6-17)18-9-11-28(12-10-18)24(30)22-14-19-13-20(25)7-8-21(19)27-22/h2-8,13-14,16,18,27H,9-12,15H2,1H3,(H,26,29)
InChIKeyRZIALFICXMJPAV-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.63
Rot. Bonds5

About N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide

N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 46376376) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID46376376
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC NameN-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
SMILESCC(C(=O)NCc1ccccc1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C24H26ClN3O2/c1-16(23(29)26-15-17-5-3-2-4-6-17)18-9-11-28(12-10-18)24(30)22-14-19-13-20(25)7-8-21(19)27-22/h2-8,13-14,16,18,27H,9-12,15H2,1H3,(H,26,29)
InChIKeyRZIALFICXMJPAV-UHFFFAOYSA-N
XLogP4.63
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]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-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 92895156
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 50816860
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]propanamide
CID 94089260
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 93077007
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 97045009
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 92879920
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methoxypropyl)propanamide
CID 93077018
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(3R)-3-pyrrolidin-1-ylbutyl]propanamide
CID 93077045
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(3R)-3-pyrrolidin-1-ylbutyl]propanamide
CID 93077047
(2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 94089259
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 93077025
(2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 93076972

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide (CID 46376376) is N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide is CC(C(=O)NCc1ccccc1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.
What is the InChIKey of N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is RZIALFICXMJPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-16(23(29)26-15-17-5-3-2-4-6-17)18-9-11-28(12-10-18)24(30)22-14-19-13-20(25)7-8-21(19)27-22/h2-8,13-14,16,18,27H,9-12,15H2,1H3,(H,26,29).
What are the key properties of N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 423.94 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 46376376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).