N-[1-(2-amino-3,4-dioxocyclobuten-1-yl)piperidin-4-yl]-N-pyridin-2-ylpropanamide

C17H20N4O3 — CID 134069498

IUPACN-[1-(2-amino-3,4-dioxocyclobuten-1-yl)piperidin-4-yl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(c1ccccn1)C1CCN(c2c(N)c(=O)c2=O)CC1
InChIInChI=1S/C17H20N4O3/c1-2-13(22)21(12-5-3-4-8-19-12)11-6-9-20(10-7-11)15-14(18)16(23)17(15)24/h3-5,8,11H,2,6-7,9-10,18H2,1H3
InChIKeyCUMGYNRCEGJFEM-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.67
Rot. Bonds4

About N-[1-(2-amino-3,4-dioxocyclobuten-1-yl)piperidin-4-yl]-N-pyridin-2-ylpropanamide

N-[1-(2-amino-3,4-dioxocyclobuten-1-yl)piperidin-4-yl]-N-pyridin-2-ylpropanamide (PubChem CID 134069498) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[1-(2-amino-3,4-dioxocyclobuten-1-yl)piperidin-4-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2-amino-3,4-dioxocyclobuten-1-yl)piperidin-4-yl]-N-pyridin-2-ylpropanamide
PubChem CID134069498
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[1-(2-amino-3,4-dioxocyclobuten-1-yl)piperidin-4-yl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(c1ccccn1)C1CCN(c2c(N)c(=O)c2=O)CC1
InChIInChI=1S/C17H20N4O3/c1-2-13(22)21(12-5-3-4-8-19-12)11-6-9-20(10-7-11)15-14(18)16(23)17(15)24/h3-5,8,11H,2,6-7,9-10,18H2,1H3
InChIKeyCUMGYNRCEGJFEM-UHFFFAOYSA-N
XLogP0.67
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 90349890
N-cyclopropyl-N-pyridin-2-ylpentanamide
CID 110723068
ethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate
CID 21496451
N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
CID 90349844
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide
CID 90349842
N-cyclopropyl-2-(4-methylphenoxy)-N-pyridin-2-ylacetamide
CID 110723109
N-cyclopentyl-2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylacetamide
CID 124590764
ethyl 4-[methyl(pyridin-2-yl)amino]cyclohexane-1-carboxylate
CID 115149187
2-(3-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-N-pyridin-2-ylacetamide
CID 23339034
N-cyclopropyl-2-(3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 110723139
benzyl N-cyclopropyl-N-pyridin-2-ylcarbamate
CID 110723115
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-3,4-dioxocyclobuten-1-yl)piperidin-4-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of N-[1-(2-amino-3,4-dioxocyclobuten-1-yl)piperidin-4-yl]-N-pyridin-2-ylpropanamide (CID 134069498) is N-[1-(2-amino-3,4-dioxocyclobuten-1-yl)piperidin-4-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[1-(2-amino-3,4-dioxocyclobuten-1-yl)piperidin-4-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-[1-(2-amino-3,4-dioxocyclobuten-1-yl)piperidin-4-yl]-N-pyridin-2-ylpropanamide is CCC(=O)N(c1ccccn1)C1CCN(c2c(N)c(=O)c2=O)CC1.
What is the InChIKey of N-[1-(2-amino-3,4-dioxocyclobuten-1-yl)piperidin-4-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is CUMGYNRCEGJFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-2-13(22)21(12-5-3-4-8-19-12)11-6-9-20(10-7-11)15-14(18)16(23)17(15)24/h3-5,8,11H,2,6-7,9-10,18H2,1H3.
What are the key properties of N-[1-(2-amino-3,4-dioxocyclobuten-1-yl)piperidin-4-yl]-N-pyridin-2-ylpropanamide?
N-[1-(2-amino-3,4-dioxocyclobuten-1-yl)piperidin-4-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 328.37 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-3,4-dioxocyclobuten-1-yl)piperidin-4-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 134069498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).