N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide

C17H25N3O — CID 119869983

IUPACN-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide
SMILESCCCN1Cc2cccc(NC(=O)C3CCCNC3)c2C1
InChIInChI=1S/C17H25N3O/c1-2-9-20-11-14-5-3-7-16(15(14)12-20)19-17(21)13-6-4-8-18-10-13/h3,5,7,13,18H,2,4,6,8-12H2,1H3,(H,19,21)
InChIKeyBEYMBDZHKCGVHJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.35
Rot. Bonds4

About N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide

N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide (PubChem CID 119869983) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide
PubChem CID119869983
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide
SMILESCCCN1Cc2cccc(NC(=O)C3CCCNC3)c2C1
InChIInChI=1S/C17H25N3O/c1-2-9-20-11-14-5-3-7-16(15(14)12-20)19-17(21)13-6-4-8-18-10-13/h3,5,7,13,18H,2,4,6,8-12H2,1H3,(H,19,21)
InChIKeyBEYMBDZHKCGVHJ-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide
CID 119872395
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832
N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide
CID 119302550
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
CID 167889310
N-[2-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 18071955
N-(2-benzamidophenyl)piperidine-3-carboxamide;hydrochloride
CID 119282577
(3R)-N-[2-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 81124791
2-[2-oxo-2-[(2-propyl-1,3-dihydroisoindol-4-yl)amino]ethoxy]-N-(2-propyl-1,3-dihydroisoindol-4-yl)acetamide
CID 166186487
(3S)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 81124526
(3S)-N-[2-(ethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 81118453
N-(2-methylsulfonylphenyl)piperidine-3-carboxamide
CID 43709740

Frequently Asked Questions

What is the IUPAC name of N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide (CID 119869983) is N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide is CCCN1Cc2cccc(NC(=O)C3CCCNC3)c2C1.
What is the InChIKey of N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide?
The InChIKey is BEYMBDZHKCGVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-9-20-11-14-5-3-7-16(15(14)12-20)19-17(21)13-6-4-8-18-10-13/h3,5,7,13,18H,2,4,6,8-12H2,1H3,(H,19,21).
What are the key properties of N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide?
N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 119869983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).