3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide

C22H27N3O2 — CID 91787264

IUPAC3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide
SMILESO=C(NCCN1CCC(O)CC1)c1cccc(N2Cc3ccccc3C2)c1
InChIInChI=1S/C22H27N3O2/c26-21-8-11-24(12-9-21)13-10-23-22(27)17-6-3-7-20(14-17)25-15-18-4-1-2-5-19(18)16-25/h1-7,14,21,26H,8-13,15-16H2,(H,23,27)
InChIKeyARLUGVCSLONKTM-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.39
Rot. Bonds5

About 3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide

3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide (PubChem CID 91787264) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide
PubChem CID91787264
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide
SMILESO=C(NCCN1CCC(O)CC1)c1cccc(N2Cc3ccccc3C2)c1
InChIInChI=1S/C22H27N3O2/c26-21-8-11-24(12-9-21)13-10-23-22(27)17-6-3-7-20(14-17)25-15-18-4-1-2-5-19(18)16-25/h1-7,14,21,26H,8-13,15-16H2,(H,23,27)
InChIKeyARLUGVCSLONKTM-UHFFFAOYSA-N
XLogP2.39
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-nitrobenzamide
CID 111429688
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241803
3-(1,3-dihydroisoindol-2-yl)benzoic acid
CID 937745
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 109053296
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 54861059
3-(1,3-dihydroisoindol-2-yl)-N-[1-(3-hydroxycyclobutyl)propyl]benzamide
CID 91795638
3-(1,3-dihydroisoindol-2-yl)-N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
CID 133265917
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-iodobenzamide
CID 37095031
3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682573
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide (CID 91787264) is 3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide is O=C(NCCN1CCC(O)CC1)c1cccc(N2Cc3ccccc3C2)c1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide?
The InChIKey is ARLUGVCSLONKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21-8-11-24(12-9-21)13-10-23-22(27)17-6-3-7-20(14-17)25-15-18-4-1-2-5-19(18)16-25/h1-7,14,21,26H,8-13,15-16H2,(H,23,27).
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide?
3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)-N-[2-(4-hydroxypiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 91787264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).