N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide

C20H31N3O — CID 72890403

IUPACN-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
SMILESCN1CCCCC1CCC(=O)NCCCN1Cc2ccccc2C1
InChIInChI=1S/C20H31N3O/c1-22-13-5-4-9-19(22)10-11-20(24)21-12-6-14-23-15-17-7-2-3-8-18(17)16-23/h2-3,7-8,19H,4-6,9-16H2,1H3,(H,21,24)
InChIKeyFRMVUMUKGFNZFH-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.77
Rot. Bonds7

About N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide

N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide (PubChem CID 72890403) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
PubChem CID72890403
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
SMILESCN1CCCCC1CCC(=O)NCCCN1Cc2ccccc2C1
InChIInChI=1S/C20H31N3O/c1-22-13-5-4-9-19(22)10-11-20(24)21-12-6-14-23-15-17-7-2-3-8-18(17)16-23/h2-3,7-8,19H,4-6,9-16H2,1H3,(H,21,24)
InChIKeyFRMVUMUKGFNZFH-UHFFFAOYSA-N
XLogP2.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
CID 97204902
4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide
CID 97201295
N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 99797989
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide
CID 72894922
N-(2,6-difluorophenyl)-3-(1-methylpiperidin-2-yl)propanamide
CID 110865271
N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72874428
3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 97201806
3-(1-methylpiperidin-2-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
CID 72885704
N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72901526
6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide
CID 56741978
3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide
CID 97209684
4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide
CID 120564700

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide?
The IUPAC name of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide (CID 72890403) is N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide.
What is the SMILES notation for N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide?
The canonical SMILES for N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide is CN1CCCCC1CCC(=O)NCCCN1Cc2ccccc2C1.
What is the InChIKey of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide?
The InChIKey is FRMVUMUKGFNZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-22-13-5-4-9-19(22)10-11-20(24)21-12-6-14-23-15-17-7-2-3-8-18(17)16-23/h2-3,7-8,19H,4-6,9-16H2,1H3,(H,21,24).
What are the key properties of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide?
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide has a molecular weight of 329.49 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide is sourced from PubChem (CID 72890403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).