N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide

C13H24N4O2 — CID 55104253

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide
SMILESCC1CNCCN1CC(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C13H24N4O2/c1-10-7-14-5-6-17(10)9-13(19)16(2)8-12(18)15-11-3-4-11/h10-11,14H,3-9H2,1-2H3,(H,15,18)
InChIKeyNAXVBIBVNPRMAJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.98
Rot. Bonds5

About N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide (PubChem CID 55104253) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide
PubChem CID55104253
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide
SMILESCC1CNCCN1CC(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C13H24N4O2/c1-10-7-14-5-6-17(10)9-13(19)16(2)8-12(18)15-11-3-4-11/h10-11,14H,3-9H2,1-2H3,(H,15,18)
InChIKeyNAXVBIBVNPRMAJ-UHFFFAOYSA-N
XLogP-0.98
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide (CID 55104253) is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide is CC1CNCCN1CC(=O)N(C)CC(=O)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide?
The InChIKey is NAXVBIBVNPRMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-10-7-14-5-6-17(10)9-13(19)16(2)8-12(18)15-11-3-4-11/h10-11,14H,3-9H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide has a molecular weight of 268.36 g/mol, XLogP of -0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(2-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 55104253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).