N-(2,4-dioxocyclohexyl)-N-methyl-2-(5-piperazin-1-yl-3-pyridinyl)acetamide

C18H24N4O3 — CID 165087943

IUPACN-(2,4-dioxocyclohexyl)-N-methyl-2-(5-piperazin-1-yl-3-pyridinyl)acetamide
SMILESCN(C(=O)Cc1cncc(N2CCNCC2)c1)C1CCC(=O)CC1=O
InChIInChI=1S/C18H24N4O3/c1-21(16-3-2-15(23)10-17(16)24)18(25)9-13-8-14(12-20-11-13)22-6-4-19-5-7-22/h8,11-12,16,19H,2-7,9-10H2,1H3
InChIKeyHAYXVYFQMAVYOT-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.18
Rot. Bonds4

About N-(2,4-dioxocyclohexyl)-N-methyl-2-(5-piperazin-1-yl-3-pyridinyl)acetamide

N-(2,4-dioxocyclohexyl)-N-methyl-2-(5-piperazin-1-yl-3-pyridinyl)acetamide (PubChem CID 165087943) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(2,4-dioxocyclohexyl)-N-methyl-2-(5-piperazin-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2,4-dioxocyclohexyl)-N-methyl-2-(5-piperazin-1-yl-3-pyridinyl)acetamide
PubChem CID165087943
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-(2,4-dioxocyclohexyl)-N-methyl-2-(5-piperazin-1-yl-3-pyridinyl)acetamide
SMILESCN(C(=O)Cc1cncc(N2CCNCC2)c1)C1CCC(=O)CC1=O
InChIInChI=1S/C18H24N4O3/c1-21(16-3-2-15(23)10-17(16)24)18(25)9-13-8-14(12-20-11-13)22-6-4-19-5-7-22/h8,11-12,16,19H,2-7,9-10H2,1H3
InChIKeyHAYXVYFQMAVYOT-UHFFFAOYSA-N
XLogP0.18
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-2-(5-piperazin-1-yl-3-pyridinyl)acetamide
CID 155218191
N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(5-piperazin-1-yl-2-pyridinyl)acetamide
CID 155713621
N-(2,4-dioxocyclohexyl)-4-piperazin-1-ylbenzamide
CID 159330945
N-(5-piperazin-1-yl-3-pyridinyl)acetamide;dihydrochloride
CID 154825632
ethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate
CID 167584122
(E)-but-2-enedioic acid;1-(5-chloro-3-pyridinyl)piperazine
CID 160798960
(3,5-dichlorophenyl)methyl N-methyl-N-(6-piperazin-1-yl-2,3-dihydro-1H-inden-1-yl)carbamate
CID 142601830
N-methyl-N-piperidin-4-yl-2-pyridin-4-ylacetamide
CID 43602089
2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
CID 140529582
2-imidazo[1,5-a]pyridin-7-yl-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)acetamide
CID 167919076
N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(3-piperidin-1-yl-4-pyridinyl)acetamide
CID 164975599
tert-butyl 2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetate
CID 66869311

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxocyclohexyl)-N-methyl-2-(5-piperazin-1-yl-3-pyridinyl)acetamide?
The IUPAC name of N-(2,4-dioxocyclohexyl)-N-methyl-2-(5-piperazin-1-yl-3-pyridinyl)acetamide (CID 165087943) is N-(2,4-dioxocyclohexyl)-N-methyl-2-(5-piperazin-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for N-(2,4-dioxocyclohexyl)-N-methyl-2-(5-piperazin-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for N-(2,4-dioxocyclohexyl)-N-methyl-2-(5-piperazin-1-yl-3-pyridinyl)acetamide is CN(C(=O)Cc1cncc(N2CCNCC2)c1)C1CCC(=O)CC1=O.
What is the InChIKey of N-(2,4-dioxocyclohexyl)-N-methyl-2-(5-piperazin-1-yl-3-pyridinyl)acetamide?
The InChIKey is HAYXVYFQMAVYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-21(16-3-2-15(23)10-17(16)24)18(25)9-13-8-14(12-20-11-13)22-6-4-19-5-7-22/h8,11-12,16,19H,2-7,9-10H2,1H3.
What are the key properties of N-(2,4-dioxocyclohexyl)-N-methyl-2-(5-piperazin-1-yl-3-pyridinyl)acetamide?
N-(2,4-dioxocyclohexyl)-N-methyl-2-(5-piperazin-1-yl-3-pyridinyl)acetamide has a molecular weight of 344.42 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxocyclohexyl)-N-methyl-2-(5-piperazin-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 165087943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).