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

C29H37N3O — CID 151756022

IUPAC2-piperidin-3-yl-5-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
SMILESO=C1c2ccc(C3CCN(CC4CCCc5ccccc54)CC3)cc2CN1C1CCCNC1
InChIInChI=1S/C29H37N3O/c33-29-28-11-10-23(17-25(28)20-32(29)26-8-4-14-30-18-26)21-12-15-31(16-13-21)19-24-7-3-6-22-5-1-2-9-27(22)24/h1-2,5,9-11,17,21,24,26,30H,3-4,6-8,12-16,18-20H2
InChIKeyRPNZRDWEZARIDH-UHFFFAOYSA-N
MW443.64 g/mol
LogP4.69
Rot. Bonds4

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

2-piperidin-3-yl-5-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one (PubChem CID 151756022) has the molecular formula C29H37N3O and a molecular weight of 443.64 g/mol. Its IUPAC name is 2-piperidin-3-yl-5-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-piperidin-3-yl-5-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
PubChem CID151756022
Molecular FormulaC29H37N3O
Molecular Weight443.64 g/mol
Exact Mass443.29
IUPAC Name2-piperidin-3-yl-5-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
SMILESO=C1c2ccc(C3CCN(CC4CCCc5ccccc54)CC3)cc2CN1C1CCCNC1
InChIInChI=1S/C29H37N3O/c33-29-28-11-10-23(17-25(28)20-32(29)26-8-4-14-30-18-26)21-12-15-31(16-13-21)19-24-7-3-6-22-5-1-2-9-27(22)24/h1-2,5,9-11,17,21,24,26,30H,3-4,6-8,12-16,18-20H2
InChIKeyRPNZRDWEZARIDH-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
CID 150210420
5-[1-[(3-anilinophenyl)methyl]piperidin-4-yl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 175750870
5-[1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-4-yl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 170163358
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
2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one
CID 170163332
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
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane
CID 63772764
2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-isoindol-1-one
CID 170163278
2-cyclopropyl-6-piperidin-3-yl-3H-isoindol-1-one
CID 117394555
5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 175824867
[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methanol
CID 55242278

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-5-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one?
The IUPAC name of 2-piperidin-3-yl-5-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one (CID 151756022) is 2-piperidin-3-yl-5-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-piperidin-3-yl-5-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-piperidin-3-yl-5-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one is O=C1c2ccc(C3CCN(CC4CCCc5ccccc54)CC3)cc2CN1C1CCCNC1.
What is the InChIKey of 2-piperidin-3-yl-5-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one?
The InChIKey is RPNZRDWEZARIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O/c33-29-28-11-10-23(17-25(28)20-32(29)26-8-4-14-30-18-26)21-12-15-31(16-13-21)19-24-7-3-6-22-5-1-2-9-27(22)24/h1-2,5,9-11,17,21,24,26,30H,3-4,6-8,12-16,18-20H2.
What are the key properties of 2-piperidin-3-yl-5-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one?
2-piperidin-3-yl-5-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one has a molecular weight of 443.64 g/mol, XLogP of 4.69, 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-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one is sourced from PubChem (CID 151756022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).