N-tert-butyl-4-prop-1-en-2-ylpiperazine-1-carboxamide

C12H23N3O — CID 58171862

IUPACN-tert-butyl-4-prop-1-en-2-ylpiperazine-1-carboxamide
SMILESC=C(C)N1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H23N3O/c1-10(2)14-6-8-15(9-7-14)11(16)13-12(3,4)5/h1,6-9H2,2-5H3,(H,13,16)
InChIKeyMRTOYPRQLBLKHO-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.65
Rot. Bonds1

About N-tert-butyl-4-prop-1-en-2-ylpiperazine-1-carboxamide

N-tert-butyl-4-prop-1-en-2-ylpiperazine-1-carboxamide (PubChem CID 58171862) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-tert-butyl-4-prop-1-en-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-prop-1-en-2-ylpiperazine-1-carboxamide
PubChem CID58171862
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-tert-butyl-4-prop-1-en-2-ylpiperazine-1-carboxamide
SMILESC=C(C)N1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H23N3O/c1-10(2)14-6-8-15(9-7-14)11(16)13-12(3,4)5/h1,6-9H2,2-5H3,(H,13,16)
InChIKeyMRTOYPRQLBLKHO-UHFFFAOYSA-N
XLogP1.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(Tert-butyl)(4-methylpiperazinyl)formamide
CID 307074
N-tert-butyl-4-ethylpiperazine-1-carboxamide
CID 57670183
N-methyl-4-prop-1-en-2-ylpiperazine-1-carboxamide
CID 58542243
1-Tert-butyl-4-methylideneimidazolidin-2-one
CID 58573366
1,1-Diethyl-3-prop-1-en-2-ylurea
CID 108910320
N,4-ditert-butylpiperazine-1-carboxamide
CID 113110298
7-Tert-butyl-2,5,6,8-tetrahydroimidazo[1,5-a]pyrazin-3-one
CID 121402921
1-Tert-butyl-4-methylidene-1,3-diazinan-2-one
CID 122413981
1-Tert-butyl-5-methyl-4-methylidene-1,3-diazinan-2-one
CID 122413983
3-Tert-butyl-6-methyl-1,4-dihydropyrimidin-2-one
CID 174182404
N,N-dimethyl-4-prop-1-en-2-ylpiperazine-1-carboxamide
CID 177186916
1,3-Dimethyl-4-(piperazin-1-ylmethyl)imidazol-2-one
CID 83885126

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-prop-1-en-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-prop-1-en-2-ylpiperazine-1-carboxamide (CID 58171862) is N-tert-butyl-4-prop-1-en-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-prop-1-en-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-prop-1-en-2-ylpiperazine-1-carboxamide is C=C(C)N1CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-prop-1-en-2-ylpiperazine-1-carboxamide?
The InChIKey is MRTOYPRQLBLKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(2)14-6-8-15(9-7-14)11(16)13-12(3,4)5/h1,6-9H2,2-5H3,(H,13,16).
What are the key properties of N-tert-butyl-4-prop-1-en-2-ylpiperazine-1-carboxamide?
N-tert-butyl-4-prop-1-en-2-ylpiperazine-1-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-prop-1-en-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 58171862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).