(5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone

C14H21ClN4O — CID 107257837

IUPAC(5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C14H21ClN4O/c1-3-18(4-2)11-5-7-19(8-6-11)14(20)12-9-17-13(15)10-16-12/h9-11H,3-8H2,1-2H3
InChIKeyWUUTYKYROBHOSH-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.08
Rot. Bonds4

About (5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone

(5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone (PubChem CID 107257837) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is (5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone
PubChem CID107257837
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name(5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cnc(Cl)cn2)CC1
InChIInChI=1S/C14H21ClN4O/c1-3-18(4-2)11-5-7-19(8-6-11)14(20)12-9-17-13(15)10-16-12/h9-11H,3-8H2,1-2H3
InChIKeyWUUTYKYROBHOSH-UHFFFAOYSA-N
XLogP2.08
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloropyrazin-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 107257834
(5-chloropyrazin-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 107257835
1-[4-(5-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103803140
ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate
CID 103803169
(5-chloropyrazin-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 113268061
(5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103803161
(5-chloropyrazin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103817134
N-[1-(5-chloropyrazine-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 107248671
(5-chloropyrazin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 107257609
(5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63525317
[4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
CID 115497426
2-[4-(5-chloropyrazine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 107371501

Frequently Asked Questions

What is the IUPAC name of (5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
The IUPAC name of (5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone (CID 107257837) is (5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2cnc(Cl)cn2)CC1.
What is the InChIKey of (5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
The InChIKey is WUUTYKYROBHOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-3-18(4-2)11-5-7-19(8-6-11)14(20)12-9-17-13(15)10-16-12/h9-11H,3-8H2,1-2H3.
What are the key properties of (5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone?
(5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone has a molecular weight of 296.80 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 107257837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).