5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide

C25H39N3O4 — CID 15078525

IUPAC5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide
SMILESCO[C@H]1CN(CCCC(=O)N2CCCC2)CC[C@H]1NC(=O)c1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C25H39N3O4/c1-25(2,3)18-9-10-21(29)19(16-18)24(31)26-20-11-15-27(17-22(20)32-4)12-7-8-23(30)28-13-5-6-14-28/h9-10,16,20,22,29H,5-8,11-15,17H2,1-4H3,(H,26,31)/t20-,22+/m1/s1
InChIKeyGHZUNRCENXXDBI-IRLDBZIGSA-N
MW445.60 g/mol
LogP2.91
Rot. Bonds7

About 5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide

5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide (PubChem CID 15078525) has the molecular formula C25H39N3O4 and a molecular weight of 445.60 g/mol. Its IUPAC name is 5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide
PubChem CID15078525
Molecular FormulaC25H39N3O4
Molecular Weight445.60 g/mol
Exact Mass445.29
IUPAC Name5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide
SMILESCO[C@H]1CN(CCCC(=O)N2CCCC2)CC[C@H]1NC(=O)c1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C25H39N3O4/c1-25(2,3)18-9-10-21(29)19(16-18)24(31)26-20-11-15-27(17-22(20)32-4)12-7-8-23(30)28-13-5-6-14-28/h9-10,16,20,22,29H,5-8,11-15,17H2,1-4H3,(H,26,31)/t20-,22+/m1/s1
InChIKeyGHZUNRCENXXDBI-IRLDBZIGSA-N
XLogP2.91
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.60
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide?
The IUPAC name of 5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide (CID 15078525) is 5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide?
The canonical SMILES for 5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide is CO[C@H]1CN(CCCC(=O)N2CCCC2)CC[C@H]1NC(=O)c1cc(C(C)(C)C)ccc1O.
What is the InChIKey of 5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide?
The InChIKey is GHZUNRCENXXDBI-IRLDBZIGSA-N. The full InChI is InChI=1S/C25H39N3O4/c1-25(2,3)18-9-10-21(29)19(16-18)24(31)26-20-11-15-27(17-22(20)32-4)12-7-8-23(30)28-13-5-6-14-28/h9-10,16,20,22,29H,5-8,11-15,17H2,1-4H3,(H,26,31)/t20-,22+/m1/s1.
What are the key properties of 5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide?
5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide has a molecular weight of 445.60 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 15078525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).