(3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

C18H20ClN5O2 — CID 94632049

IUPAC(3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)c1
InChIInChI=1S/C18H20ClN5O2/c1-12(25)22-14-4-5-15(19)16(9-14)23-18(26)13-3-2-8-24(11-13)17-10-20-6-7-21-17/h4-7,9-10,13H,2-3,8,11H2,1H3,(H,22,25)(H,23,26)/t13-/m1/s1
InChIKeyMGVKGKBFQJVNGP-CYBMUJFWSA-N
MW373.84 g/mol
LogP2.94
Rot. Bonds4

About (3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

(3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 94632049) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is (3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID94632049
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name(3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)c1
InChIInChI=1S/C18H20ClN5O2/c1-12(25)22-14-4-5-15(19)16(9-14)23-18(26)13-3-2-8-24(11-13)17-10-20-6-7-21-17/h4-7,9-10,13H,2-3,8,11H2,1H3,(H,22,25)(H,23,26)/t13-/m1/s1
InChIKeyMGVKGKBFQJVNGP-CYBMUJFWSA-N
XLogP2.94
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632050
N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 71685358
N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977
N-(3-methyl-4-pyridin-3-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 166280142
N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46573311
1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46573508
(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36981777
1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide
CID 51113453
N-[3-(dimethylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597194
(3R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37025382
(3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36997778

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 94632049) is (3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is CC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)c1.
What is the InChIKey of (3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is MGVKGKBFQJVNGP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-12(25)22-14-4-5-15(19)16(9-14)23-18(26)13-3-2-8-24(11-13)17-10-20-6-7-21-17/h4-7,9-10,13H,2-3,8,11H2,1H3,(H,22,25)(H,23,26)/t13-/m1/s1.
What are the key properties of (3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 94632049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).