N-(2-ethoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide

C25H35N5O4 — CID 134804678

IUPACN-(2-ethoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C25H35N5O4/c1-2-34-22-8-4-3-6-20(22)26-24(32)27-10-12-28(13-11-27)25(33)29-15-18-14-19(17-29)21-7-5-9-23(31)30(21)16-18/h3-4,6,8,18-19,21H,2,5,7,9-17H2,1H3,(H,26,32)/t18?,19?,21-/m1/s1
InChIKeyOGOFHVQBXUCSCK-GZNCHQMQSA-N
MW469.59 g/mol
LogP2.69
Rot. Bonds3

About N-(2-ethoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide

N-(2-ethoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide (PubChem CID 134804678) has the molecular formula C25H35N5O4 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide
PubChem CID134804678
Molecular FormulaC25H35N5O4
Molecular Weight469.59 g/mol
Exact Mass469.27
IUPAC NameN-(2-ethoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C25H35N5O4/c1-2-34-22-8-4-3-6-20(22)26-24(32)27-10-12-28(13-11-27)25(33)29-15-18-14-19(17-29)21-7-5-9-23(31)30(21)16-18/h3-4,6,8,18-19,21H,2,5,7,9-17H2,1H3,(H,26,32)/t18?,19?,21-/m1/s1
InChIKeyOGOFHVQBXUCSCK-GZNCHQMQSA-N
XLogP2.69
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide (CID 134804678) is N-(2-ethoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide?
The InChIKey is OGOFHVQBXUCSCK-GZNCHQMQSA-N. The full InChI is InChI=1S/C25H35N5O4/c1-2-34-22-8-4-3-6-20(22)26-24(32)27-10-12-28(13-11-27)25(33)29-15-18-14-19(17-29)21-7-5-9-23(31)30(21)16-18/h3-4,6,8,18-19,21H,2,5,7,9-17H2,1H3,(H,26,32)/t18?,19?,21-/m1/s1.
What are the key properties of N-(2-ethoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide?
N-(2-ethoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 134804678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).