1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide

C19H25N7O — CID 23609685

IUPAC1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H25N7O/c27-18(15-2-10-25(11-3-15)17-14-20-8-9-21-17)24-16-4-12-26(13-5-16)19-22-6-1-7-23-19/h1,6-9,14-16H,2-5,10-13H2,(H,24,27)
InChIKeyGSJKEWIFQLWFAH-UHFFFAOYSA-N
MW367.46 g/mol
LogP1.27
Rot. Bonds4

About 1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide

1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide (PubChem CID 23609685) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
PubChem CID23609685
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C19H25N7O/c27-18(15-2-10-25(11-3-15)17-14-20-8-9-21-17)24-16-4-12-26(13-5-16)19-22-6-1-7-23-19/h1,6-9,14-16H,2-5,10-13H2,(H,24,27)
InChIKeyGSJKEWIFQLWFAH-UHFFFAOYSA-N
XLogP1.27
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide (CID 23609685) is 1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide is O=C(NC1CCN(c2ncccn2)CC1)C1CCN(c2cnccn2)CC1.
What is the InChIKey of 1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide?
The InChIKey is GSJKEWIFQLWFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c27-18(15-2-10-25(11-3-15)17-14-20-8-9-21-17)24-16-4-12-26(13-5-16)19-22-6-1-7-23-19/h1,6-9,14-16H,2-5,10-13H2,(H,24,27).
What are the key properties of 1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide?
1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide has a molecular weight of 367.46 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 23609685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).