[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone

C20H26N2O3 — CID 138386675

IUPAC[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)N1CCC(C3(O)CC3)CC1)c(C)n2C
InChIInChI=1S/C20H26N2O3/c1-13-18(16-12-15(25-3)4-5-17(16)21(13)2)19(23)22-10-6-14(7-11-22)20(24)8-9-20/h4-5,12,14,24H,6-11H2,1-3H3
InChIKeyUZTBBISQZIZRTD-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.87
Rot. Bonds3

About [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone

[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone (PubChem CID 138386675) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone
PubChem CID138386675
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)N1CCC(C3(O)CC3)CC1)c(C)n2C
InChIInChI=1S/C20H26N2O3/c1-13-18(16-12-15(25-3)4-5-17(16)21(13)2)19(23)22-10-6-14(7-11-22)20(24)8-9-20/h4-5,12,14,24H,6-11H2,1-3H3
InChIKeyUZTBBISQZIZRTD-UHFFFAOYSA-N
XLogP2.87
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone?
The IUPAC name of [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone (CID 138386675) is [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone.
What is the SMILES notation for [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone?
The canonical SMILES for [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone is COc1ccc2c(c1)c(C(=O)N1CCC(C3(O)CC3)CC1)c(C)n2C.
What is the InChIKey of [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone?
The InChIKey is UZTBBISQZIZRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13-18(16-12-15(25-3)4-5-17(16)21(13)2)19(23)22-10-6-14(7-11-22)20(24)8-9-20/h4-5,12,14,24H,6-11H2,1-3H3.
What are the key properties of [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone?
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methoxy-1,2-dimethylindol-3-yl)methanone is sourced from PubChem (CID 138386675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).