(2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide

C19H25N5O2 — CID 129473040

IUPAC(2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
SMILESCN(C)C(=O)[C@@H](N[C@H]1CCCN(c2ncc[nH]c2=O)C1)c1ccccc1
InChIInChI=1S/C19H25N5O2/c1-23(2)19(26)16(14-7-4-3-5-8-14)22-15-9-6-12-24(13-15)17-18(25)21-11-10-20-17/h3-5,7-8,10-11,15-16,22H,6,9,12-13H2,1-2H3,(H,21,25)/t15-,16-/m0/s1
InChIKeyCLJVALFCQMMYED-HOTGVXAUSA-N
MW355.44 g/mol
LogP1.16
Rot. Bonds5

About (2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide

(2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide (PubChem CID 129473040) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
PubChem CID129473040
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
SMILESCN(C)C(=O)[C@@H](N[C@H]1CCCN(c2ncc[nH]c2=O)C1)c1ccccc1
InChIInChI=1S/C19H25N5O2/c1-23(2)19(26)16(14-7-4-3-5-8-14)22-15-9-6-12-24(13-15)17-18(25)21-11-10-20-17/h3-5,7-8,10-11,15-16,22H,6,9,12-13H2,1-2H3,(H,21,25)/t15-,16-/m0/s1
InChIKeyCLJVALFCQMMYED-HOTGVXAUSA-N
XLogP1.16
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide (CID 129473040) is (2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide is CN(C)C(=O)[C@@H](N[C@H]1CCCN(c2ncc[nH]c2=O)C1)c1ccccc1.
What is the InChIKey of (2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide?
The InChIKey is CLJVALFCQMMYED-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-23(2)19(26)16(14-7-4-3-5-8-14)22-15-9-6-12-24(13-15)17-18(25)21-11-10-20-17/h3-5,7-8,10-11,15-16,22H,6,9,12-13H2,1-2H3,(H,21,25)/t15-,16-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide?
(2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide has a molecular weight of 355.44 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide is sourced from PubChem (CID 129473040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).