(2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide

C18H27N5O2 — CID 124979644

IUPAC(2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@@H]1C(=O)NCc1nccnc1C1CCN(C)CC1
InChIInChI=1S/C18H27N5O2/c1-13(24)23-9-3-4-16(23)18(25)21-12-15-17(20-8-7-19-15)14-5-10-22(2)11-6-14/h7-8,14,16H,3-6,9-12H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyMCXMCEXRRUSNGV-MRXNPFEDSA-N
MW345.45 g/mol
LogP0.91
Rot. Bonds4

About (2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide

(2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 124979644) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID124979644
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@@H]1C(=O)NCc1nccnc1C1CCN(C)CC1
InChIInChI=1S/C18H27N5O2/c1-13(24)23-9-3-4-16(23)18(25)21-12-15-17(20-8-7-19-15)14-5-10-22(2)11-6-14/h7-8,14,16H,3-6,9-12H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyMCXMCEXRRUSNGV-MRXNPFEDSA-N
XLogP0.91
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 110208637
1-acetyl-N-[(Z)-4-(2-ethyl-3-pyridinyl)but-3-enyl]pyrrolidine-2-carboxamide
CID 146358268
N-[[3-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
CID 110095684
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 110117452
1-acetyl-N-[(6-cyclopentyloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 87005295
1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide
CID 163643584
(2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide
CID 124569412
1-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 47162787
(2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 42198821
(2R)-1-acetyl-N-[[5-(4-fluorophenyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 125447070
(3R)-N-[(3-chloropyrazin-2-yl)methyl]-1-methylpiperidine-3-carboxamide
CID 168934298
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119504515

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide (CID 124979644) is (2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@@H]1C(=O)NCc1nccnc1C1CCN(C)CC1.
What is the InChIKey of (2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is MCXMCEXRRUSNGV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13(24)23-9-3-4-16(23)18(25)21-12-15-17(20-8-7-19-15)14-5-10-22(2)11-6-14/h7-8,14,16H,3-6,9-12H2,1-2H3,(H,21,25)/t16-/m1/s1.
What are the key properties of (2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide?
(2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N-[[3-(1-methylpiperidin-4-yl)pyrazin-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 124979644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).