N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide

C19H29N3O — CID 119872395

IUPACN-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide
SMILESCC(C)CCN1Cc2cccc(NC(=O)C3CCNCC3)c2C1
InChIInChI=1S/C19H29N3O/c1-14(2)8-11-22-12-16-4-3-5-18(17(16)13-22)21-19(23)15-6-9-20-10-7-15/h3-5,14-15,20H,6-13H2,1-2H3,(H,21,23)
InChIKeyXHMSYIJSPFIMLV-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.99
Rot. Bonds5

About N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide

N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide (PubChem CID 119872395) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide
PubChem CID119872395
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide
SMILESCC(C)CCN1Cc2cccc(NC(=O)C3CCNCC3)c2C1
InChIInChI=1S/C19H29N3O/c1-14(2)8-11-22-12-16-4-3-5-18(17(16)13-22)21-19(23)15-6-9-20-10-7-15/h3-5,14-15,20H,6-13H2,1-2H3,(H,21,23)
InChIKeyXHMSYIJSPFIMLV-UHFFFAOYSA-N
XLogP2.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119872398
1-(2,4-difluorophenyl)sulfonyl-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide
CID 167827331
N-(2-propyl-1,3-dihydroisoindol-4-yl)piperidine-3-carboxamide
CID 119869983
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide
CID 119872419
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]acetamide;dihydrochloride
CID 119872418
3-(2-aminophenyl)-N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]propanamide;dihydrochloride
CID 120612872
(3R)-1-ethyl-N-[2-(2-methylpropyl)-1,3-dihydroisoindol-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 124596685
N-[(2S)-2-(1,3-dihydroisoindol-2-ylmethyl)-5-oxo-4-propan-2-yl-2,3-dihydro-1,4-benzoxazepin-9-yl]piperidine-4-carboxamide
CID 144580492
N-naphthalen-1-ylpiperidine-4-carboxamide
CID 18073022
N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119263530
N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119284707
3-amino-N-(2-propyl-1,3-dihydroisoindol-4-yl)-2,3-dihydro-1H-indene-1-carboxamide
CID 167889310

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide (CID 119872395) is N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide is CC(C)CCN1Cc2cccc(NC(=O)C3CCNCC3)c2C1.
What is the InChIKey of N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide?
The InChIKey is XHMSYIJSPFIMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-14(2)8-11-22-12-16-4-3-5-18(17(16)13-22)21-19(23)15-6-9-20-10-7-15/h3-5,14-15,20H,6-13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide?
N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 119872395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).