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

C23H36N4O3 — CID 134804160

IUPACN-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]cyclopentanecarboxamide
SMILESO=C(NC1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1)C1CCCC1
InChIInChI=1S/C23H36N4O3/c28-21-7-3-6-20-18-12-16(14-27(20)21)13-26(15-18)23(30)25-10-8-19(9-11-25)24-22(29)17-4-1-2-5-17/h16-20H,1-15H2,(H,24,29)/t16?,18?,20-/m1/s1
InChIKeyQZTWWXSFEMNZLI-OUNSHVDWSA-N
MW416.57 g/mol
LogP2.21
Rot. Bonds2

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

N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]cyclopentanecarboxamide (PubChem CID 134804160) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]cyclopentanecarboxamide
PubChem CID134804160
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC NameN-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]cyclopentanecarboxamide
SMILESO=C(NC1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1)C1CCCC1
InChIInChI=1S/C23H36N4O3/c28-21-7-3-6-20-18-12-16(14-27(20)21)13-26(15-18)23(30)25-10-8-19(9-11-25)24-22(29)17-4-1-2-5-17/h16-20H,1-15H2,(H,24,29)/t16?,18?,20-/m1/s1
InChIKeyQZTWWXSFEMNZLI-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-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]cyclopentanecarboxamide (CID 134804160) is N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]cyclopentanecarboxamide is O=C(NC1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1)C1CCCC1.
What is the InChIKey of N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]cyclopentanecarboxamide?
The InChIKey is QZTWWXSFEMNZLI-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)25-10-8-19(9-11-25)24-22(29)17-4-1-2-5-17/h16-20H,1-15H2,(H,24,29)/t16?,18?,20-/m1/s1.
What are the key properties of N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]cyclopentanecarboxamide?
N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]cyclopentanecarboxamide 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-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 134804160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).