(2S)-2-(2-methylimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide

C16H22N6O — CID 126451759

IUPAC(2S)-2-(2-methylimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
SMILESCc1nccn1[C@@H](C)C(=O)NC1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H22N6O/c1-12(22-10-7-18-13(22)2)16(23)20-14-3-8-21(9-4-14)15-11-17-5-6-19-15/h5-7,10-12,14H,3-4,8-9H2,1-2H3,(H,20,23)/t12-/m0/s1
InChIKeySPOPDVQQLCJYLY-LBPRGKRZSA-N
MW314.39 g/mol
LogP1.33
Rot. Bonds4

About (2S)-2-(2-methylimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide

(2S)-2-(2-methylimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide (PubChem CID 126451759) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-2-(2-methylimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-methylimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
PubChem CID126451759
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name(2S)-2-(2-methylimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
SMILESCc1nccn1[C@@H](C)C(=O)NC1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H22N6O/c1-12(22-10-7-18-13(22)2)16(23)20-14-3-8-21(9-4-14)15-11-17-5-6-19-15/h5-7,10-12,14H,3-4,8-9H2,1-2H3,(H,20,23)/t12-/m0/s1
InChIKeySPOPDVQQLCJYLY-LBPRGKRZSA-N
XLogP1.33
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of (2S)-2-(2-methylimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide (CID 126451759) is (2S)-2-(2-methylimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for (2S)-2-(2-methylimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for (2S)-2-(2-methylimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide is Cc1nccn1[C@@H](C)C(=O)NC1CCN(c2cnccn2)CC1.
What is the InChIKey of (2S)-2-(2-methylimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide?
The InChIKey is SPOPDVQQLCJYLY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12(22-10-7-18-13(22)2)16(23)20-14-3-8-21(9-4-14)15-11-17-5-6-19-15/h5-7,10-12,14H,3-4,8-9H2,1-2H3,(H,20,23)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-methylimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide?
(2S)-2-(2-methylimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 126451759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).