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

C23H36N4O3 — CID 134804126

IUPACN-cyclopentyl-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C23H36N4O3/c28-21-7-3-6-20-18-12-16(14-27(20)21)13-26(15-18)23(30)25-10-8-17(9-11-25)22(29)24-19-4-1-2-5-19/h16-20H,1-15H2,(H,24,29)/t16?,18?,20-/m1/s1
InChIKeyXVNCDHKXQYTWSI-OUNSHVDWSA-N
MW416.57 g/mol
LogP2.21
Rot. Bonds2

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

N-cyclopentyl-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide (PubChem CID 134804126) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-cyclopentyl-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide
PubChem CID134804126
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC NameN-cyclopentyl-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCC1)C1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C23H36N4O3/c28-21-7-3-6-20-18-12-16(14-27(20)21)13-26(15-18)23(30)25-10-8-17(9-11-25)22(29)24-19-4-1-2-5-19/h16-20H,1-15H2,(H,24,29)/t16?,18?,20-/m1/s1
InChIKeyXVNCDHKXQYTWSI-OUNSHVDWSA-N
XLogP2.21
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide (CID 134804126) is N-cyclopentyl-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide is O=C(NC1CCCC1)C1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1.
What is the InChIKey of N-cyclopentyl-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide?
The InChIKey is XVNCDHKXQYTWSI-OUNSHVDWSA-N. The full InChI is InChI=1S/C23H36N4O3/c28-21-7-3-6-20-18-12-16(14-27(20)21)13-26(15-18)23(30)25-10-8-17(9-11-25)22(29)24-19-4-1-2-5-19/h16-20H,1-15H2,(H,24,29)/t16?,18?,20-/m1/s1.
What are the key properties of N-cyclopentyl-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide?
N-cyclopentyl-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 134804126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).