1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyrazin-2-ylethyl)piperidine-3-carboxamide

C19H21ClN4O2 — CID 24817348

IUPAC1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyrazin-2-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1cnccn1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H21ClN4O2/c20-16-4-1-14(2-5-16)12-24-13-15(3-6-18(24)25)19(26)23-8-7-17-11-21-9-10-22-17/h1-2,4-5,9-11,15H,3,6-8,12-13H2,(H,23,26)
InChIKeyFGGLQASIYNCNNY-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.23
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyrazin-2-ylethyl)piperidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyrazin-2-ylethyl)piperidine-3-carboxamide (PubChem CID 24817348) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyrazin-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyrazin-2-ylethyl)piperidine-3-carboxamide
PubChem CID24817348
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyrazin-2-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1cnccn1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H21ClN4O2/c20-16-4-1-14(2-5-16)12-24-13-15(3-6-18(24)25)19(26)23-8-7-17-11-21-9-10-22-17/h1-2,4-5,9-11,15H,3,6-8,12-13H2,(H,23,26)
InChIKeyFGGLQASIYNCNNY-UHFFFAOYSA-N
XLogP2.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyrazin-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyrazin-2-ylethyl)piperidine-3-carboxamide (CID 24817348) is 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyrazin-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyrazin-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyrazin-2-ylethyl)piperidine-3-carboxamide is O=C(NCCc1cnccn1)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyrazin-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is FGGLQASIYNCNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-16-4-1-14(2-5-16)12-24-13-15(3-6-18(24)25)19(26)23-8-7-17-11-21-9-10-22-17/h1-2,4-5,9-11,15H,3,6-8,12-13H2,(H,23,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyrazin-2-ylethyl)piperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyrazin-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 372.86 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-pyrazin-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24817348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).