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

C24H39N5O3 — CID 134804346

IUPAC1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCCC1)C1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C24H39N5O3/c30-22-5-3-4-21-20-14-18(16-29(21)22)15-28(17-20)24(32)27-11-6-19(7-12-27)23(31)25-8-13-26-9-1-2-10-26/h18-21H,1-17H2,(H,25,31)/t18?,20?,21-/m1/s1
InChIKeyDNFVENMIZZWIME-DQVLVPHSSA-N
MW445.61 g/mol
LogP1.36
Rot. Bonds4

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

1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide (PubChem CID 134804346) has the molecular formula C24H39N5O3 and a molecular weight of 445.61 g/mol. Its IUPAC name is 1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
PubChem CID134804346
Molecular FormulaC24H39N5O3
Molecular Weight445.61 g/mol
Exact Mass445.31
IUPAC Name1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCCC1)C1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C24H39N5O3/c30-22-5-3-4-21-20-14-18(16-29(21)22)15-28(17-20)24(32)27-11-6-19(7-12-27)23(31)25-8-13-26-9-1-2-10-26/h18-21H,1-17H2,(H,25,31)/t18?,20?,21-/m1/s1
InChIKeyDNFVENMIZZWIME-DQVLVPHSSA-N
XLogP1.36
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide 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 1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide (CID 134804346) is 1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide is O=C(NCCN1CCCC1)C1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1.
What is the InChIKey of 1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is DNFVENMIZZWIME-DQVLVPHSSA-N. The full InChI is InChI=1S/C24H39N5O3/c30-22-5-3-4-21-20-14-18(16-29(21)22)15-28(17-20)24(32)27-11-6-19(7-12-27)23(31)25-8-13-26-9-1-2-10-26/h18-21H,1-17H2,(H,25,31)/t18?,20?,21-/m1/s1.
What are the key properties of 1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 445.61 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 134804346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).