N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C19H23N5O2 — CID 120930477

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(CNC(=O)C1(n2cccn2)CCNCC1)N1CCc2ccccc21
InChIInChI=1S/C19H23N5O2/c25-17(23-13-6-15-4-1-2-5-16(15)23)14-21-18(26)19(7-10-20-11-8-19)24-12-3-9-22-24/h1-5,9,12,20H,6-8,10-11,13-14H2,(H,21,26)
InChIKeyFXGHXWUQAWZKAG-UHFFFAOYSA-N
MW353.43 g/mol
LogP0.67
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120930477) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120930477
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(CNC(=O)C1(n2cccn2)CCNCC1)N1CCc2ccccc21
InChIInChI=1S/C19H23N5O2/c25-17(23-13-6-15-4-1-2-5-16(15)23)14-21-18(26)19(7-10-20-11-8-19)24-12-3-9-22-24/h1-5,9,12,20H,6-8,10-11,13-14H2,(H,21,26)
InChIKeyFXGHXWUQAWZKAG-UHFFFAOYSA-N
XLogP0.67
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939140
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
N-[2-oxo-2-(2-phenylethylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120929101
N-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935683
N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924924
N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919791
N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918777
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
(5-tert-butyl-2,3-dihydroindol-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120929976
4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120920271
N-[(2,2-dimethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932686

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120930477) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C(CNC(=O)C1(n2cccn2)CCNCC1)N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is FXGHXWUQAWZKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-17(23-13-6-15-4-1-2-5-16(15)23)14-21-18(26)19(7-10-20-11-8-19)24-12-3-9-22-24/h1-5,9,12,20H,6-8,10-11,13-14H2,(H,21,26).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120930477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).