N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide

C17H25N3O — CID 119868371

IUPACN-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide
SMILESCC1Cc2ccccc2N1CCNC(=O)C1CCCNC1
InChIInChI=1S/C17H25N3O/c1-13-11-14-5-2-3-7-16(14)20(13)10-9-19-17(21)15-6-4-8-18-12-15/h2-3,5,7,13,15,18H,4,6,8-12H2,1H3,(H,19,21)
InChIKeyFRZULCXGKKCWMP-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.55
Rot. Bonds4

About N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide

N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 119868371) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID119868371
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide
SMILESCC1Cc2ccccc2N1CCNC(=O)C1CCCNC1
InChIInChI=1S/C17H25N3O/c1-13-11-14-5-2-3-7-16(14)20(13)10-9-19-17(21)15-6-4-8-18-12-15/h2-3,5,7,13,15,18H,4,6,8-12H2,1H3,(H,19,21)
InChIKeyFRZULCXGKKCWMP-UHFFFAOYSA-N
XLogP1.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 155947049
4-hydroxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 119868403
(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123977
(3R)-N-[3-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 81133525
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 60599694
1-(3-hydroxybutyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111337321
2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide
CID 60599554
N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride
CID 119901172
(3R)-N-(3-indol-1-ylpropyl)piperidine-3-carboxamide
CID 81133523
1-(benzenesulfonyl)-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-4-carboxamide
CID 100646631
N-(cyclopropylmethyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 60866414
1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111088779

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide (CID 119868371) is N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide is CC1Cc2ccccc2N1CCNC(=O)C1CCCNC1.
What is the InChIKey of N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is FRZULCXGKKCWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-11-14-5-2-3-7-16(14)20(13)10-9-19-17(21)15-6-4-8-18-12-15/h2-3,5,7,13,15,18H,4,6,8-12H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide?
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119868371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).