4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide

C11H21N3O — CID 142388351

IUPAC4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide
SMILESC=C(C)N1CCN(C(C)C)CC1C(N)=O
InChIInChI=1S/C11H21N3O/c1-8(2)13-5-6-14(9(3)4)10(7-13)11(12)15/h8,10H,3,5-7H2,1-2,4H3,(H2,12,15)
InChIKeyXROXRRGRKQCUIL-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.40
Rot. Bonds3

About 4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide

4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide (PubChem CID 142388351) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide
PubChem CID142388351
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide
SMILESC=C(C)N1CCN(C(C)C)CC1C(N)=O
InChIInChI=1S/C11H21N3O/c1-8(2)13-5-6-14(9(3)4)10(7-13)11(12)15/h8,10H,3,5-7H2,1-2,4H3,(H2,12,15)
InChIKeyXROXRRGRKQCUIL-UHFFFAOYSA-N
XLogP0.40
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-1-prop-2-enoylpiperazine-2-carboxamide
CID 135165339
1-[2-(4-methylsulfonylphenyl)acetyl]-4-propan-2-ylpiperazine-2-carboxamide
CID 175656351
1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide
CID 110086198
1-[3-(3-methylpyrazol-1-yl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide
CID 175661500
(2R)-4-acetyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 124954921
1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 146395138
(2R)-2-methyl-1-(3-methylbut-1-en-2-yl)-4-propan-2-ylpiperazine
CID 170195604
(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
(3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide
CID 134267302
tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate
CID 168850650
(2R)-4-propan-2-yl-1-prop-2-enoylpiperazine-2-carbonitrile
CID 167020513
2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one
CID 134380044

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide?
The IUPAC name of 4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide (CID 142388351) is 4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide is C=C(C)N1CCN(C(C)C)CC1C(N)=O.
What is the InChIKey of 4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide?
The InChIKey is XROXRRGRKQCUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(2)13-5-6-14(9(3)4)10(7-13)11(12)15/h8,10H,3,5-7H2,1-2,4H3,(H2,12,15).
What are the key properties of 4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide?
4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide has a molecular weight of 211.31 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-prop-1-en-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 142388351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).