N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide

C21H29N5O — CID 126454273

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1nccc1[C@H]1CCCNC1)NCCCN1CCc2ccccc21
InChIInChI=1S/C21H29N5O/c27-21(16-26-20(8-12-24-26)18-6-3-10-22-15-18)23-11-4-13-25-14-9-17-5-1-2-7-19(17)25/h1-2,5,7-8,12,18,22H,3-4,6,9-11,13-16H2,(H,23,27)/t18-/m0/s1
InChIKeyTXQODIOZTBBWIK-SFHVURJKSA-N
MW367.50 g/mol
LogP1.92
Rot. Bonds7

About N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide

N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide (PubChem CID 126454273) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
PubChem CID126454273
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1nccc1[C@H]1CCCNC1)NCCCN1CCc2ccccc21
InChIInChI=1S/C21H29N5O/c27-21(16-26-20(8-12-24-26)18-6-3-10-22-15-18)23-11-4-13-25-14-9-17-5-1-2-7-19(17)25/h1-2,5,7-8,12,18,22H,3-4,6,9-11,13-16H2,(H,23,27)/t18-/m0/s1
InChIKeyTXQODIOZTBBWIK-SFHVURJKSA-N
XLogP1.92
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide 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

N-(2-piperidin-1-ylethyl)-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119074986
(3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 81133525
N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide;hydrochloride
CID 154903889
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide
CID 119851195
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119851194
4-fluoro-N-[2-[[2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]ethyl]benzamide
CID 126431022
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126449343
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126430454
2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 154905968
N-[2-(butylamino)-2-oxoethyl]-N-methyl-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119058801
2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 126443982
2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
CID 154905162

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide (CID 126454273) is N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide is O=C(Cn1nccc1[C@H]1CCCNC1)NCCCN1CCc2ccccc21.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
The InChIKey is TXQODIOZTBBWIK-SFHVURJKSA-N. The full InChI is InChI=1S/C21H29N5O/c27-21(16-26-20(8-12-24-26)18-6-3-10-22-15-18)23-11-4-13-25-14-9-17-5-1-2-7-19(17)25/h1-2,5,7-8,12,18,22H,3-4,6,9-11,13-16H2,(H,23,27)/t18-/m0/s1.
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide?
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide has a molecular weight of 367.50 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 126454273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).