2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one

C29H37N3O — CID 150210420

IUPAC2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
SMILESO=C1c2ccc(C3CCN(Cc4ccc5c(c4)CCCC5)CC3)cc2CN1C1CCCNC1
InChIInChI=1S/C29H37N3O/c33-29-28-10-9-25(17-26(28)20-32(29)27-6-3-13-30-18-27)23-11-14-31(15-12-23)19-21-7-8-22-4-1-2-5-24(22)16-21/h7-10,16-17,23,27,30H,1-6,11-15,18-20H2
InChIKeyFRJDVPHSKXZWHN-UHFFFAOYSA-N
MW443.64 g/mol
LogP4.65
Rot. Bonds4

About 2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one

2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one (PubChem CID 150210420) has the molecular formula C29H37N3O and a molecular weight of 443.64 g/mol. Its IUPAC name is 2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
PubChem CID150210420
Molecular FormulaC29H37N3O
Molecular Weight443.64 g/mol
Exact Mass443.29
IUPAC Name2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
SMILESO=C1c2ccc(C3CCN(Cc4ccc5c(c4)CCCC5)CC3)cc2CN1C1CCCNC1
InChIInChI=1S/C29H37N3O/c33-29-28-10-9-25(17-26(28)20-32(29)27-6-3-13-30-18-27)23-11-14-31(15-12-23)19-21-7-8-22-4-1-2-5-24(22)16-21/h7-10,16-17,23,27,30H,1-6,11-15,18-20H2
InChIKeyFRJDVPHSKXZWHN-UHFFFAOYSA-N
XLogP4.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.64
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one 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

5-[1-[(3-anilinophenyl)methyl]piperidin-4-yl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 175750870
2-piperidin-3-yl-5-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
CID 151756022
2-piperidin-3-yl-5-[1-[(6-propan-2-yloxy-2-pyridinyl)methyl]piperidin-4-yl]-3H-isoindol-1-one
CID 170162528
7-methyl-2-[[4-(1-oxo-2-piperidin-3-yl-3H-isoindol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 170163491
5-[1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 170163613
3-(3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;3-[3-oxo-6-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde;hydrochloride
CID 158941402
5-[1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-4-yl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 170163358
3-[6-[1-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 138577783
5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 175824867
5-[1-[(4-cyclohexylphenyl)methyl]piperidin-4-yl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 167258222
2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one
CID 117394555
5-[(3S)-1-[[2-[(3S)-1-methylpyrrolidin-3-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-2-piperidin-3-yl-3H-isoindol-1-one
CID 174211146

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one?
The IUPAC name of 2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one (CID 150210420) is 2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one is O=C1c2ccc(C3CCN(Cc4ccc5c(c4)CCCC5)CC3)cc2CN1C1CCCNC1.
What is the InChIKey of 2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one?
The InChIKey is FRJDVPHSKXZWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O/c33-29-28-10-9-25(17-26(28)20-32(29)27-6-3-13-30-18-27)23-11-14-31(15-12-23)19-21-7-8-22-4-1-2-5-24(22)16-21/h7-10,16-17,23,27,30H,1-6,11-15,18-20H2.
What are the key properties of 2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one?
2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one has a molecular weight of 443.64 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one is sourced from PubChem (CID 150210420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).