N-[2-(4-chlorophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C18H21ClN4O — CID 651219

IUPACN-[2-(4-chlorophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H21ClN4O/c19-16-3-1-14(2-4-16)5-8-22-18(24)15-6-11-23(12-7-15)17-13-20-9-10-21-17/h1-4,9-10,13,15H,5-8,11-12H2,(H,22,24)
InChIKeyLXBBJJVRKTVACG-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.71
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 651219) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID651219
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H21ClN4O/c19-16-3-1-14(2-4-16)5-8-22-18(24)15-6-11-23(12-7-15)17-13-20-9-10-21-17/h1-4,9-10,13,15H,5-8,11-12H2,(H,22,24)
InChIKeyLXBBJJVRKTVACG-UHFFFAOYSA-N
XLogP2.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-Chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one
CID 132260974
N-(4-chlorobenzyl)-2,2-dimethyl-N-(2-pyrazinyl)propanamide
CID 4563418
N-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3224181
N-[(2-fluorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607670
N-benzyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607872
N-[(4-Fluorophenyl)methyl]-1-(pyrazin-2-YL)piperidine-4-carboxamide
CID 3222637
N~3~-(5-chloro-2-methylphenyl)-1-(2-pyrazinyl)-3-piperidinecarboxamide
CID 16013994
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 90654575
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90654579
1-N-[(2S)-1-[[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]-4-N-pyrazin-2-ylpiperidine-1,4-dicarboxamide
CID 134144291
1-N-[(2S)-1-[[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-N-pyrazin-2-ylpiperidine-1,4-dicarboxamide
CID 134155758
1-N-[(2S)-1-[[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]amino]-4-(2,2-dimethylpropylamino)-1,4-dioxobutan-2-yl]-4-N-pyrazin-2-ylpiperidine-1,4-dicarboxamide
CID 137651497

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 651219) is N-[2-(4-chlorophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is LXBBJJVRKTVACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-16-3-1-14(2-4-16)5-8-22-18(24)15-6-11-23(12-7-15)17-13-20-9-10-21-17/h1-4,9-10,13,15H,5-8,11-12H2,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 651219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).