(3-methoxypyrazin-2-yl)-(1-piperidin-1-ylcyclopentyl)methanone

C16H23N3O2 — CID 104514996

IUPAC(3-methoxypyrazin-2-yl)-(1-piperidin-1-ylcyclopentyl)methanone
SMILESCOc1nccnc1C(=O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C16H23N3O2/c1-21-15-13(17-9-10-18-15)14(20)16(7-3-4-8-16)19-11-5-2-6-12-19/h9-10H,2-8,11-12H2,1H3
InChIKeyBRZWJHRNGNKFMI-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.47
Rot. Bonds4

About (3-methoxypyrazin-2-yl)-(1-piperidin-1-ylcyclopentyl)methanone

(3-methoxypyrazin-2-yl)-(1-piperidin-1-ylcyclopentyl)methanone (PubChem CID 104514996) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (3-methoxypyrazin-2-yl)-(1-piperidin-1-ylcyclopentyl)methanone.

Molecular Properties

Compound Name(3-methoxypyrazin-2-yl)-(1-piperidin-1-ylcyclopentyl)methanone
PubChem CID104514996
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(3-methoxypyrazin-2-yl)-(1-piperidin-1-ylcyclopentyl)methanone
SMILESCOc1nccnc1C(=O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C16H23N3O2/c1-21-15-13(17-9-10-18-15)14(20)16(7-3-4-8-16)19-11-5-2-6-12-19/h9-10H,2-8,11-12H2,1H3
InChIKeyBRZWJHRNGNKFMI-UHFFFAOYSA-N
XLogP2.47
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrazin-2-yl)-(1-piperidin-1-ylcyclopentyl)methanone?
The IUPAC name of (3-methoxypyrazin-2-yl)-(1-piperidin-1-ylcyclopentyl)methanone (CID 104514996) is (3-methoxypyrazin-2-yl)-(1-piperidin-1-ylcyclopentyl)methanone.
What is the SMILES notation for (3-methoxypyrazin-2-yl)-(1-piperidin-1-ylcyclopentyl)methanone?
The canonical SMILES for (3-methoxypyrazin-2-yl)-(1-piperidin-1-ylcyclopentyl)methanone is COc1nccnc1C(=O)C1(N2CCCCC2)CCCC1.
What is the InChIKey of (3-methoxypyrazin-2-yl)-(1-piperidin-1-ylcyclopentyl)methanone?
The InChIKey is BRZWJHRNGNKFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-21-15-13(17-9-10-18-15)14(20)16(7-3-4-8-16)19-11-5-2-6-12-19/h9-10H,2-8,11-12H2,1H3.
What are the key properties of (3-methoxypyrazin-2-yl)-(1-piperidin-1-ylcyclopentyl)methanone?
(3-methoxypyrazin-2-yl)-(1-piperidin-1-ylcyclopentyl)methanone has a molecular weight of 289.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrazin-2-yl)-(1-piperidin-1-ylcyclopentyl)methanone is sourced from PubChem (CID 104514996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).