N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide

C20H31N3O — CID 72894922

IUPACN-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(CC(=O)NCCCN2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H31N3O/c1-2-22-12-8-17(9-13-22)14-20(24)21-10-5-11-23-15-18-6-3-4-7-19(18)16-23/h3-4,6-7,17H,2,5,8-16H2,1H3,(H,21,24)
InChIKeySYQICOKOGSCESZ-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.63
Rot. Bonds7

About N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide

N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 72894922) 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]-2-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide
PubChem CID72894922
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(CC(=O)NCCCN2Cc3ccccc3C2)CC1
InChIInChI=1S/C20H31N3O/c1-2-22-12-8-17(9-13-22)14-20(24)21-10-5-11-23-15-18-6-3-4-7-19(18)16-23/h3-4,6-7,17H,2,5,8-16H2,1H3,(H,21,24)
InChIKeySYQICOKOGSCESZ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 50768066
2-(cyclopropylmethylamino)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide;dihydrochloride
CID 119851340
N-(3-benzylsulfanylpropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 50875423
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72890403
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
N-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 125481439
2-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 112708220
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 50816974
N-(3-ethoxypropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969773
N-[2-(1,3-dihydroisoindol-2-yl)ethyl]hexanamide
CID 154775188
2-(1-ethylpiperidin-4-yl)-N-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]acetamide
CID 97193145
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 99969982

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide (CID 72894922) is N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(CC(=O)NCCCN2Cc3ccccc3C2)CC1.
What is the InChIKey of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is SYQICOKOGSCESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-2-22-12-8-17(9-13-22)14-20(24)21-10-5-11-23-15-18-6-3-4-7-19(18)16-23/h3-4,6-7,17H,2,5,8-16H2,1H3,(H,21,24).
What are the key properties of N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide?
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-2-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 329.49 g/mol, XLogP of 2.63, 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]-2-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 72894922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).