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

C20H33N5O3 — CID 134804491

IUPAC4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C20H33N5O3/c1-2-6-21-19(27)22-7-9-23(10-8-22)20(28)24-12-15-11-16(14-24)17-4-3-5-18(26)25(17)13-15/h15-17H,2-14H2,1H3,(H,21,27)/t15?,16?,17-/m1/s1
InChIKeySDAWZIHIRJEHHO-OFLPRAFFSA-N
MW391.52 g/mol
LogP1.18
Rot. Bonds2

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

4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-propylpiperazine-1-carboxamide (PubChem CID 134804491) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-propylpiperazine-1-carboxamide
PubChem CID134804491
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C20H33N5O3/c1-2-6-21-19(27)22-7-9-23(10-8-22)20(28)24-12-15-11-16(14-24)17-4-3-5-18(26)25(17)13-15/h15-17H,2-14H2,1H3,(H,21,27)/t15?,16?,17-/m1/s1
InChIKeySDAWZIHIRJEHHO-OFLPRAFFSA-N
XLogP1.18
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-propylpiperazine-1-carboxamide (CID 134804491) is 4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1.
What is the InChIKey of 4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is SDAWZIHIRJEHHO-OFLPRAFFSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-2-6-21-19(27)22-7-9-23(10-8-22)20(28)24-12-15-11-16(14-24)17-4-3-5-18(26)25(17)13-15/h15-17H,2-14H2,1H3,(H,21,27)/t15?,16?,17-/m1/s1.
What are the key properties of 4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-propylpiperazine-1-carboxamide?
4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 134804491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).