3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C30H36N4O5 — CID 146209888

IUPAC3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)c3cccc(NCc4ccc(CN5CCC(OCC6CC6)CC5)cc4)c3C2O)C(=O)N1
InChIInChI=1S/C30H36N4O5/c35-26-11-10-25(28(36)32-26)34-29(37)23-2-1-3-24(27(23)30(34)38)31-16-19-4-6-20(7-5-19)17-33-14-12-22(13-15-33)39-18-21-8-9-21/h1-7,21-22,25,30-31,38H,8-18H2,(H,32,35,36)
InChIKeyPXSJBAZFPALXGL-UHFFFAOYSA-N
MW532.64 g/mol
LogP2.94
Rot. Bonds9

About 3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 146209888) has the molecular formula C30H36N4O5 and a molecular weight of 532.64 g/mol. Its IUPAC name is 3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID146209888
Molecular FormulaC30H36N4O5
Molecular Weight532.64 g/mol
Exact Mass532.27
IUPAC Name3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)c3cccc(NCc4ccc(CN5CCC(OCC6CC6)CC5)cc4)c3C2O)C(=O)N1
InChIInChI=1S/C30H36N4O5/c35-26-11-10-25(28(36)32-26)34-29(37)23-2-1-3-24(27(23)30(34)38)31-16-19-4-6-20(7-5-19)17-33-14-12-22(13-15-33)39-18-21-8-9-21/h1-7,21-22,25,30-31,38H,8-18H2,(H,32,35,36)
InChIKeyPXSJBAZFPALXGL-UHFFFAOYSA-N
XLogP2.94
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.64
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 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

4-[[4-(azonan-1-ylmethyl)phenyl]methylamino]-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 174350229
2-(2,6-dioxopiperidin-3-yl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]isoindole-1,3-dione
CID 170002551
3-[7-[2-(7-ethyl-7-azaspiro[3.5]nonan-2-yl)ethylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170046249
2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methylamino]isoindole-1,3-dione
CID 146195269
(3R)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 159987516
2-(2,6-dioxopiperidin-3-yl)-4-[[4-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]methylamino]isoindole-1,3-dione
CID 146195469
3-(1-hydroxy-3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167190475
5-[[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]methyl]furan-2-carboxylic acid
CID 142156257
4-[[4-[(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146195503
(3R)-3-[7-[[4-[(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140915059
3-[4-oxo-5-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methylamino]quinazolin-3-yl]piperidine-2,6-dione
CID 156837203
4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]benzamide
CID 175730464

Frequently Asked Questions

What is the IUPAC name of 3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 146209888) is 3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2C(=O)c3cccc(NCc4ccc(CN5CCC(OCC6CC6)CC5)cc4)c3C2O)C(=O)N1.
What is the InChIKey of 3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is PXSJBAZFPALXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O5/c35-26-11-10-25(28(36)32-26)34-29(37)23-2-1-3-24(27(23)30(34)38)31-16-19-4-6-20(7-5-19)17-33-14-12-22(13-15-33)39-18-21-8-9-21/h1-7,21-22,25,30-31,38H,8-18H2,(H,32,35,36).
What are the key properties of 3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 532.64 g/mol, XLogP of 2.94, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 146209888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).