(2R)-11-[1-(2-ethoxyacetyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C20H33N3O3 — CID 134804188

IUPAC(2R)-11-[1-(2-ethoxyacetyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCCOCC(=O)N1CCC(N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C20H33N3O3/c1-2-26-14-20(25)21-8-6-17(7-9-21)22-11-15-10-16(13-22)18-4-3-5-19(24)23(18)12-15/h15-18H,2-14H2,1H3/t15?,16?,18-/m1/s1
InChIKeySXJHAMXOPZYWDU-LEOMRAHMSA-N
MW363.50 g/mol
LogP1.35
Rot. Bonds4

About (2R)-11-[1-(2-ethoxyacetyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

(2R)-11-[1-(2-ethoxyacetyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 134804188) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is (2R)-11-[1-(2-ethoxyacetyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name(2R)-11-[1-(2-ethoxyacetyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID134804188
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name(2R)-11-[1-(2-ethoxyacetyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCCOCC(=O)N1CCC(N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1
InChIInChI=1S/C20H33N3O3/c1-2-26-14-20(25)21-8-6-17(7-9-21)22-11-15-10-16(13-22)18-4-3-5-19(24)23(18)12-15/h15-18H,2-14H2,1H3/t15?,16?,18-/m1/s1
InChIKeySXJHAMXOPZYWDU-LEOMRAHMSA-N
XLogP1.35
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-11-[1-(2-ethoxyacetyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of (2R)-11-[1-(2-ethoxyacetyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 134804188) is (2R)-11-[1-(2-ethoxyacetyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for (2R)-11-[1-(2-ethoxyacetyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for (2R)-11-[1-(2-ethoxyacetyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is CCOCC(=O)N1CCC(N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1.
What is the InChIKey of (2R)-11-[1-(2-ethoxyacetyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is SXJHAMXOPZYWDU-LEOMRAHMSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-2-26-14-20(25)21-8-6-17(7-9-21)22-11-15-10-16(13-22)18-4-3-5-19(24)23(18)12-15/h15-18H,2-14H2,1H3/t15?,16?,18-/m1/s1.
What are the key properties of (2R)-11-[1-(2-ethoxyacetyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
(2R)-11-[1-(2-ethoxyacetyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 363.50 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-11-[1-(2-ethoxyacetyl)piperidin-4-yl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 134804188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).