[5-(1-cyclopropylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone

C21H27N3O3 — CID 11653567

IUPAC[5-(1-cyclopropylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2cc(OC3CCN(C4CC4)CC3)ccc2[nH]1)N1CCOCC1
InChIInChI=1S/C21H27N3O3/c25-21(24-9-11-26-12-10-24)20-14-15-13-18(3-4-19(15)22-20)27-17-5-7-23(8-6-17)16-1-2-16/h3-4,13-14,16-17,22H,1-2,5-12H2
InChIKeyXNWBLSUDQWDOPY-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.65
Rot. Bonds4

About [5-(1-cyclopropylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone

[5-(1-cyclopropylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone (PubChem CID 11653567) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is [5-(1-cyclopropylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(1-cyclopropylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone
PubChem CID11653567
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name[5-(1-cyclopropylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2cc(OC3CCN(C4CC4)CC3)ccc2[nH]1)N1CCOCC1
InChIInChI=1S/C21H27N3O3/c25-21(24-9-11-26-12-10-24)20-14-15-13-18(3-4-19(15)22-20)27-17-5-7-23(8-6-17)16-1-2-16/h3-4,13-14,16-17,22H,1-2,5-12H2
InChIKeyXNWBLSUDQWDOPY-UHFFFAOYSA-N
XLogP2.65
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1-cyclopropylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(1-cyclopropylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone (CID 11653567) is [5-(1-cyclopropylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(1-cyclopropylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(1-cyclopropylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone is O=C(c1cc2cc(OC3CCN(C4CC4)CC3)ccc2[nH]1)N1CCOCC1.
What is the InChIKey of [5-(1-cyclopropylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone?
The InChIKey is XNWBLSUDQWDOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-21(24-9-11-26-12-10-24)20-14-15-13-18(3-4-19(15)22-20)27-17-5-7-23(8-6-17)16-1-2-16/h3-4,13-14,16-17,22H,1-2,5-12H2.
What are the key properties of [5-(1-cyclopropylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone?
[5-(1-cyclopropylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 369.47 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-cyclopropylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 11653567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).