(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone

C16H23N5O2 — CID 30547276

IUPAC(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cn1
InChIInChI=1S/C16H23N5O2/c1-13-11-18-14(12-17-13)15(22)19-7-9-21(10-8-19)16(23)20-5-3-2-4-6-20/h11-12H,2-10H2,1H3
InChIKeyDKHTVXKKDROJOG-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.15
Rot. Bonds1

About (5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone

(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone (PubChem CID 30547276) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
PubChem CID30547276
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cn1
InChIInChI=1S/C16H23N5O2/c1-13-11-18-14(12-17-13)15(22)19-7-9-21(10-8-19)16(23)20-5-3-2-4-6-20/h11-12H,2-10H2,1H3
InChIKeyDKHTVXKKDROJOG-UHFFFAOYSA-N
XLogP1.15
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone (CID 30547276) is (5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone is Cc1cnc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
The InChIKey is DKHTVXKKDROJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-13-11-18-14(12-17-13)15(22)19-7-9-21(10-8-19)16(23)20-5-3-2-4-6-20/h11-12H,2-10H2,1H3.
What are the key properties of (5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone?
(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone has a molecular weight of 317.39 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 30547276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).