(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 125006234
N-methyl-1-(2-morpholin-4-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245738
1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245716
(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 124983217
(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 124986361
(2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124991235
1-[(4-methoxyphenyl)methyl]-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245773
1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 125009234
1-(2-cyclopropylacetyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245914
cyclopentyl-[2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 127245896
N-methyl-2-pyrazin-2-yl-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 127245834
(2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124947122

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).