2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide

C20H30N2O3 — CID 71850746

IUPAC2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide
SMILESCC(C)N1CCC(O)(CNC(=O)CC2OCCc3ccccc32)CC1
InChIInChI=1S/C20H30N2O3/c1-15(2)22-10-8-20(24,9-11-22)14-21-19(23)13-18-17-6-4-3-5-16(17)7-12-25-18/h3-6,15,18,24H,7-14H2,1-2H3,(H,21,23)
InChIKeyYRPNSRCWSGZCLE-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.04
Rot. Bonds5

About 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide

2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide (PubChem CID 71850746) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide
PubChem CID71850746
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide
SMILESCC(C)N1CCC(O)(CNC(=O)CC2OCCc3ccccc32)CC1
InChIInChI=1S/C20H30N2O3/c1-15(2)22-10-8-20(24,9-11-22)14-21-19(23)13-18-17-6-4-3-5-16(17)7-12-25-18/h3-6,15,18,24H,7-14H2,1-2H3,(H,21,23)
InChIKeyYRPNSRCWSGZCLE-UHFFFAOYSA-N
XLogP2.04
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dihydro-1H-isochromen-1-yl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120826800
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrrol-1-ylethyl)acetamide
CID 95784485
2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 99167409
2-(3,4-dihydro-1H-isochromen-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813262
N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119408439
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methylpropylsulfonyl)acetamide
CID 99234418
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 111386279
1-(3,4-dihydro-1H-isochromen-1-yl)-3,4-dimethylpentan-2-one
CID 114977062
N-[2-(cycloheptylamino)ethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119621137
N-[2-(cycloheptylamino)ethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride
CID 119621136
2-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 119199061
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 111386147

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide (CID 71850746) is 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide is CC(C)N1CCC(O)(CNC(=O)CC2OCCc3ccccc32)CC1.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide?
The InChIKey is YRPNSRCWSGZCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(2)22-10-8-20(24,9-11-22)14-21-19(23)13-18-17-6-4-3-5-16(17)7-12-25-18/h3-6,15,18,24H,7-14H2,1-2H3,(H,21,23).
What are the key properties of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide?
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 71850746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).