[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

C20H23N5O2 — CID 126952332

IUPAC[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCC(Oc2cccc3c2ccn3CC2CC2)CC1
InChIInChI=1S/C20H23N5O2/c26-20(19-21-13-22-23-19)24-9-6-15(7-10-24)27-18-3-1-2-17-16(18)8-11-25(17)12-14-4-5-14/h1-3,8,11,13-15H,4-7,9-10,12H2,(H,21,22,23)
InChIKeyOVPOFXINEIHVRL-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.85
Rot. Bonds5

About [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone

[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 126952332) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID126952332
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESO=C(c1ncn[nH]1)N1CCC(Oc2cccc3c2ccn3CC2CC2)CC1
InChIInChI=1S/C20H23N5O2/c26-20(19-21-13-22-23-19)24-9-6-15(7-10-24)27-18-3-1-2-17-16(18)8-11-25(17)12-14-4-5-14/h1-3,8,11,13-15H,4-7,9-10,12H2,(H,21,22,23)
InChIKeyOVPOFXINEIHVRL-UHFFFAOYSA-N
XLogP2.85
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 126952338
[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126952327
4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole
CID 126952428
5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one
CID 126952400
[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 126952735
(5-methyl-1H-pyrazol-3-yl)-[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methanone
CID 126952507
6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one
CID 126952470
2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953341
[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 121163236
1-(cyclopropylmethyl)-4-ethoxyindole
CID 83173607
6-[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126952728
2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953365

Frequently Asked Questions

What is the IUPAC name of [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone (CID 126952332) is [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is O=C(c1ncn[nH]1)N1CCC(Oc2cccc3c2ccn3CC2CC2)CC1.
What is the InChIKey of [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is OVPOFXINEIHVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-20(19-21-13-22-23-19)24-9-6-15(7-10-24)27-18-3-1-2-17-16(18)8-11-25(17)12-14-4-5-14/h1-3,8,11,13-15H,4-7,9-10,12H2,(H,21,22,23).
What are the key properties of [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone?
[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 365.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 126952332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).