N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide

C15H21N3O — CID 110837941

IUPACN-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide
SMILESCN1CCc2cc(NC(=O)C3CCCNC3)ccc21
InChIInChI=1S/C15H21N3O/c1-18-8-6-11-9-13(4-5-14(11)18)17-15(19)12-3-2-7-16-10-12/h4-5,9,12,16H,2-3,6-8,10H2,1H3,(H,17,19)
InChIKeyZZKZTUGBSJNFCI-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.62
Rot. Bonds2

About N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide

N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide (PubChem CID 110837941) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide
PubChem CID110837941
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide
SMILESCN1CCc2cc(NC(=O)C3CCCNC3)ccc21
InChIInChI=1S/C15H21N3O/c1-18-8-6-11-9-13(4-5-14(11)18)17-15(19)12-3-2-7-16-10-12/h4-5,9,12,16H,2-3,6-8,10H2,1H3,(H,17,19)
InChIKeyZZKZTUGBSJNFCI-UHFFFAOYSA-N
XLogP1.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)piperidine-3-carboxamide
CID 114263025
N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110729349
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxamide
CID 115159350
2-methyl-5-(piperidine-3-carbonylamino)benzoic acid
CID 63653513
N-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112523463
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 119290092
2-fluoro-4-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 107795041
N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)piperidine-3-carboxamide;dihydrochloride
CID 119829247
N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)cyclobutanecarboxamide
CID 110729129
N-[3-(dimethylamino)-4-methylphenyl]piperidine-3-carboxamide
CID 115377234
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)piperidine-4-carboxamide
CID 22690154

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide?
The IUPAC name of N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide (CID 110837941) is N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide is CN1CCc2cc(NC(=O)C3CCCNC3)ccc21.
What is the InChIKey of N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide?
The InChIKey is ZZKZTUGBSJNFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-8-6-11-9-13(4-5-14(11)18)17-15(19)12-3-2-7-16-10-12/h4-5,9,12,16H,2-3,6-8,10H2,1H3,(H,17,19).
What are the key properties of N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide?
N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 110837941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).