1-ethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazole-3-carboxamide

C23H34N6O3 — CID 134804240

IUPAC1-ethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2CCN(C(=O)N3CC4CC(C3)[C@H]3CCCC(=O)N3C4)CC2)n1
InChIInChI=1S/C23H34N6O3/c1-2-28-11-8-19(25-28)22(31)24-18-6-9-26(10-7-18)23(32)27-13-16-12-17(15-27)20-4-3-5-21(30)29(20)14-16/h8,11,16-18,20H,2-7,9-10,12-15H2,1H3,(H,24,31)/t16?,17?,20-/m1/s1
InChIKeyMMRCSSGXFPLJTH-LBXVMSDZSA-N
MW442.56 g/mol
LogP1.55
Rot. Bonds3

About 1-ethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazole-3-carboxamide

1-ethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 134804240) has the molecular formula C23H34N6O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-ethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazole-3-carboxamide
PubChem CID134804240
Molecular FormulaC23H34N6O3
Molecular Weight442.56 g/mol
Exact Mass442.27
IUPAC Name1-ethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2CCN(C(=O)N3CC4CC(C3)[C@H]3CCCC(=O)N3C4)CC2)n1
InChIInChI=1S/C23H34N6O3/c1-2-28-11-8-19(25-28)22(31)24-18-6-9-26(10-7-18)23(32)27-13-16-12-17(15-27)20-4-3-5-21(30)29(20)14-16/h8,11,16-18,20H,2-7,9-10,12-15H2,1H3,(H,24,31)/t16?,17?,20-/m1/s1
InChIKeyMMRCSSGXFPLJTH-LBXVMSDZSA-N
XLogP1.55
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazole-3-carboxamide (CID 134804240) is 1-ethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazole-3-carboxamide is CCn1ccc(C(=O)NC2CCN(C(=O)N3CC4CC(C3)[C@H]3CCCC(=O)N3C4)CC2)n1.
What is the InChIKey of 1-ethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is MMRCSSGXFPLJTH-LBXVMSDZSA-N. The full InChI is InChI=1S/C23H34N6O3/c1-2-28-11-8-19(25-28)22(31)24-18-6-9-26(10-7-18)23(32)27-13-16-12-17(15-27)20-4-3-5-21(30)29(20)14-16/h8,11,16-18,20H,2-7,9-10,12-15H2,1H3,(H,24,31)/t16?,17?,20-/m1/s1.
What are the key properties of 1-ethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazole-3-carboxamide?
1-ethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 134804240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).