(4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

C19H29N3O2 — CID 90636070

IUPAC(4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESCCCCC1CCC(C(=O)N2CCC(Oc3cnccn3)C2)CC1
InChIInChI=1S/C19H29N3O2/c1-2-3-4-15-5-7-16(8-6-15)19(23)22-12-9-17(14-22)24-18-13-20-10-11-21-18/h10-11,13,15-17H,2-9,12,14H2,1H3
InChIKeyBCWBWTTZOURXRM-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.45
Rot. Bonds6

About (4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

(4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 90636070) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID90636070
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESCCCCC1CCC(C(=O)N2CCC(Oc3cnccn3)C2)CC1
InChIInChI=1S/C19H29N3O2/c1-2-3-4-15-5-7-16(8-6-15)19(23)22-12-9-17(14-22)24-18-13-20-10-11-21-18/h10-11,13,15-17H,2-9,12,14H2,1H3
InChIKeyBCWBWTTZOURXRM-UHFFFAOYSA-N
XLogP3.45
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (CID 90636070) is (4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is CCCCC1CCC(C(=O)N2CCC(Oc3cnccn3)C2)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is BCWBWTTZOURXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-2-3-4-15-5-7-16(8-6-15)19(23)22-12-9-17(14-22)24-18-13-20-10-11-21-18/h10-11,13,15-17H,2-9,12,14H2,1H3.
What are the key properties of (4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
(4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 331.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 90636070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).