(4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C14H21N5O — CID 63713980

IUPAC(4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCC1CNCC1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H21N5O/c1-11-8-16-9-12(11)14(20)19-6-4-18(5-7-19)13-10-15-2-3-17-13/h2-3,10-12,16H,4-9H2,1H3
InChIKeyPMOHIOKYQYYJRY-UHFFFAOYSA-N
MW275.36 g/mol
LogP-0.02
Rot. Bonds2

About (4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone

(4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 63713980) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID63713980
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCC1CNCC1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H21N5O/c1-11-8-16-9-12(11)14(20)19-6-4-18(5-7-19)13-10-15-2-3-17-13/h2-3,10-12,16H,4-9H2,1H3
InChIKeyPMOHIOKYQYYJRY-UHFFFAOYSA-N
XLogP-0.02
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 63713980) is (4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is CC1CNCC1C(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is PMOHIOKYQYYJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11-8-16-9-12(11)14(20)19-6-4-18(5-7-19)13-10-15-2-3-17-13/h2-3,10-12,16H,4-9H2,1H3.
What are the key properties of (4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 275.36 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 63713980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).