N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide

C14H22ClN5O2 — CID 117054833

IUPACN-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide
SMILESCN(C)c1nccnc1OC1CCCN(C(=O)NCCCl)C1
InChIInChI=1S/C14H22ClN5O2/c1-19(2)12-13(17-8-7-16-12)22-11-4-3-9-20(10-11)14(21)18-6-5-15/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,21)
InChIKeyAONRMISMMFQWOL-UHFFFAOYSA-N
MW327.82 g/mol
LogP1.33
Rot. Bonds5

About N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide

N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide (PubChem CID 117054833) has the molecular formula C14H22ClN5O2 and a molecular weight of 327.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide
PubChem CID117054833
Molecular FormulaC14H22ClN5O2
Molecular Weight327.82 g/mol
Exact Mass327.15
IUPAC NameN-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide
SMILESCN(C)c1nccnc1OC1CCCN(C(=O)NCCCl)C1
InChIInChI=1S/C14H22ClN5O2/c1-19(2)12-13(17-8-7-16-12)22-11-4-3-9-20(10-11)14(21)18-6-5-15/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,21)
InChIKeyAONRMISMMFQWOL-UHFFFAOYSA-N
XLogP1.33
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 100658000
[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-phenylmethanone
CID 91628252
[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 91628265
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-thiophen-2-ylmethanone
CID 100658231
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 100657586
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 100657758
(4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 100659423
N-[(2R)-1-[(3R)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide
CID 100658901
1-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-methoxyethanone
CID 91914172
2-[2-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 91628278
N,N-dimethyl-3-(1-methylpyrrolidin-3-yl)oxypyrazin-2-amine
CID 110875627
3-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 91628240

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide?
The IUPAC name of N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide (CID 117054833) is N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide is CN(C)c1nccnc1OC1CCCN(C(=O)NCCCl)C1.
What is the InChIKey of N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide?
The InChIKey is AONRMISMMFQWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5O2/c1-19(2)12-13(17-8-7-16-12)22-11-4-3-9-20(10-11)14(21)18-6-5-15/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide?
N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide has a molecular weight of 327.82 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carboxamide is sourced from PubChem (CID 117054833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).