2-methyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopropane-1-carboxamide

C13H21N3O3 — CID 55209075

IUPAC2-methyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)NC1CCC(=O)NC1
InChIInChI=1S/C13H21N3O3/c1-8-6-10(8)13(19)14-5-4-12(18)16-9-2-3-11(17)15-7-9/h8-10H,2-7H2,1H3,(H,14,19)(H,15,17)(H,16,18)
InChIKeyWYESGHNYAHJUOV-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.46
Rot. Bonds5

About 2-methyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopropane-1-carboxamide

2-methyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopropane-1-carboxamide (PubChem CID 55209075) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopropane-1-carboxamide
PubChem CID55209075
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-methyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)NC1CCC(=O)NC1
InChIInChI=1S/C13H21N3O3/c1-8-6-10(8)13(19)14-5-4-12(18)16-9-2-3-11(17)15-7-9/h8-10H,2-7H2,1H3,(H,14,19)(H,15,17)(H,16,18)
InChIKeyWYESGHNYAHJUOV-UHFFFAOYSA-N
XLogP-0.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopropane-1-carboxamide (CID 55209075) is 2-methyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopropane-1-carboxamide is CC1CC1C(=O)NCCC(=O)NC1CCC(=O)NC1.
What is the InChIKey of 2-methyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopropane-1-carboxamide?
The InChIKey is WYESGHNYAHJUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8-6-10(8)13(19)14-5-4-12(18)16-9-2-3-11(17)15-7-9/h8-10H,2-7H2,1H3,(H,14,19)(H,15,17)(H,16,18).
What are the key properties of 2-methyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopropane-1-carboxamide?
2-methyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopropane-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-oxo-3-[(6-oxopiperidin-3-yl)amino]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55209075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).