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

C23H37N5O3 — CID 134804575

IUPACN-cyclohexyl-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C23H37N5O3/c29-21-8-4-7-20-18-13-17(15-28(20)21)14-27(16-18)23(31)26-11-9-25(10-12-26)22(30)24-19-5-2-1-3-6-19/h17-20H,1-16H2,(H,24,30)/t17?,18?,20-/m1/s1
InChIKeyYTERVJIPPOTQNF-AFMYVXGZSA-N
MW431.58 g/mol
LogP2.10
Rot. Bonds1

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

N-cyclohexyl-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide (PubChem CID 134804575) has the molecular formula C23H37N5O3 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide
PubChem CID134804575
Molecular FormulaC23H37N5O3
Molecular Weight431.58 g/mol
Exact Mass431.29
IUPAC NameN-cyclohexyl-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C23H37N5O3/c29-21-8-4-7-20-18-13-17(15-28(20)21)14-27(16-18)23(31)26-11-9-25(10-12-26)22(30)24-19-5-2-1-3-6-19/h17-20H,1-16H2,(H,24,30)/t17?,18?,20-/m1/s1
InChIKeyYTERVJIPPOTQNF-AFMYVXGZSA-N
XLogP2.10
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide (CID 134804575) is N-cyclohexyl-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-cyclohexyl-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1.
What is the InChIKey of N-cyclohexyl-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide?
The InChIKey is YTERVJIPPOTQNF-AFMYVXGZSA-N. The full InChI is InChI=1S/C23H37N5O3/c29-21-8-4-7-20-18-13-17(15-28(20)21)14-27(16-18)23(31)26-11-9-25(10-12-26)22(30)24-19-5-2-1-3-6-19/h17-20H,1-16H2,(H,24,30)/t17?,18?,20-/m1/s1.
What are the key properties of N-cyclohexyl-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 134804575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).