N-methyl-4-prop-1-en-2-ylpiperazine-1-carboxamide

C9H17N3O — CID 58542243

IUPACN-methyl-4-prop-1-en-2-ylpiperazine-1-carboxamide
SMILESC=C(C)N1CCN(C(=O)NC)CC1
InChIInChI=1S/C9H17N3O/c1-8(2)11-4-6-12(7-5-11)9(13)10-3/h1,4-7H2,2-3H3,(H,10,13)
InChIKeyHFWYCVSXUWEFIZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.48
Rot. Bonds1

About N-methyl-4-prop-1-en-2-ylpiperazine-1-carboxamide

N-methyl-4-prop-1-en-2-ylpiperazine-1-carboxamide (PubChem CID 58542243) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-methyl-4-prop-1-en-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-prop-1-en-2-ylpiperazine-1-carboxamide
PubChem CID58542243
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-methyl-4-prop-1-en-2-ylpiperazine-1-carboxamide
SMILESC=C(C)N1CCN(C(=O)NC)CC1
InChIInChI=1S/C9H17N3O/c1-8(2)11-4-6-12(7-5-11)9(13)10-3/h1,4-7H2,2-3H3,(H,10,13)
InChIKeyHFWYCVSXUWEFIZ-UHFFFAOYSA-N
XLogP0.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-prop-1-en-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-methyl-4-prop-1-en-2-ylpiperazine-1-carboxamide (CID 58542243) is N-methyl-4-prop-1-en-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-methyl-4-prop-1-en-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-methyl-4-prop-1-en-2-ylpiperazine-1-carboxamide is C=C(C)N1CCN(C(=O)NC)CC1.
What is the InChIKey of N-methyl-4-prop-1-en-2-ylpiperazine-1-carboxamide?
The InChIKey is HFWYCVSXUWEFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(2)11-4-6-12(7-5-11)9(13)10-3/h1,4-7H2,2-3H3,(H,10,13).
What are the key properties of N-methyl-4-prop-1-en-2-ylpiperazine-1-carboxamide?
N-methyl-4-prop-1-en-2-ylpiperazine-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-prop-1-en-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 58542243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).