(2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide

C18H27N5O2 — CID 124963497

IUPAC(2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@]1(c2cnccn2)CCCN1C(=O)CN1CCCCC1
InChIInChI=1S/C18H27N5O2/c1-21(2)17(25)18(15-13-19-8-9-20-15)7-6-12-23(18)16(24)14-22-10-4-3-5-11-22/h8-9,13H,3-7,10-12,14H2,1-2H3/t18-/m0/s1
InChIKeyHQQZSFVZYACDDH-SFHVURJKSA-N
MW345.45 g/mol
LogP0.87
Rot. Bonds4

About (2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide

(2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 124963497) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID124963497
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@]1(c2cnccn2)CCCN1C(=O)CN1CCCCC1
InChIInChI=1S/C18H27N5O2/c1-21(2)17(25)18(15-13-19-8-9-20-15)7-6-12-23(18)16(24)14-22-10-4-3-5-11-22/h8-9,13H,3-7,10-12,14H2,1-2H3/t18-/m0/s1
InChIKeyHQQZSFVZYACDDH-SFHVURJKSA-N
XLogP0.87
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 124963497) is (2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide is CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1C(=O)CN1CCCCC1.
What is the InChIKey of (2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is HQQZSFVZYACDDH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-21(2)17(25)18(15-13-19-8-9-20-15)7-6-12-23(18)16(24)14-22-10-4-3-5-11-22/h8-9,13H,3-7,10-12,14H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
(2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 124963497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).