(3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide

C18H27N5O2 — CID 97125874

IUPAC(3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)N1C[C@H](C(=O)NC2CCN(c3cnccn3)CC2)CC1=O
InChIInChI=1S/C18H27N5O2/c1-18(2,3)23-12-13(10-16(23)24)17(25)21-14-4-8-22(9-5-14)15-11-19-6-7-20-15/h6-7,11,13-14H,4-5,8-10,12H2,1-3H3,(H,21,25)/t13-/m1/s1
InChIKeyOGYXPJCXIBVIEN-CYBMUJFWSA-N
MW345.45 g/mol
LogP1.21
Rot. Bonds3

About (3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide

(3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 97125874) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID97125874
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)N1C[C@H](C(=O)NC2CCN(c3cnccn3)CC2)CC1=O
InChIInChI=1S/C18H27N5O2/c1-18(2,3)23-12-13(10-16(23)24)17(25)21-14-4-8-22(9-5-14)15-11-19-6-7-20-15/h6-7,11,13-14H,4-5,8-10,12H2,1-3H3,(H,21,25)/t13-/m1/s1
InChIKeyOGYXPJCXIBVIEN-CYBMUJFWSA-N
XLogP1.21
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 23609685
1-tert-butyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552426
1-tert-butyl-5-oxo-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552376
(4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide
CID 125155070
1-tert-butyl-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 131927694
N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222636
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557834
1-pyrazin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-3-carboxamide
CID 46474959
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597405
6-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrazine-3-carboxamide
CID 118792476
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 108552371
(3R)-6,6-dimethyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)thiomorpholine-3-carboxamide
CID 125173162

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide (CID 97125874) is (3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide is CC(C)(C)N1C[C@H](C(=O)NC2CCN(c3cnccn3)CC2)CC1=O.
What is the InChIKey of (3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is OGYXPJCXIBVIEN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-18(2,3)23-12-13(10-16(23)24)17(25)21-14-4-8-22(9-5-14)15-11-19-6-7-20-15/h6-7,11,13-14H,4-5,8-10,12H2,1-3H3,(H,21,25)/t13-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
(3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-5-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97125874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).