4-methyl-N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide

C18H27N3O — CID 657479

IUPAC4-methyl-N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
SMILESC=C(C)c1ccc(C(C)(C)NC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H27N3O/c1-14(2)15-6-8-16(9-7-15)18(3,4)19-17(22)21-12-10-20(5)11-13-21/h6-9H,1,10-13H2,2-5H3,(H,19,22)
InChIKeyXPQFWWZZFUCNDL-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.91
Rot. Bonds3

About 4-methyl-N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide

4-methyl-N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide (PubChem CID 657479) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
PubChem CID657479
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name4-methyl-N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
SMILESC=C(C)c1ccc(C(C)(C)NC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H27N3O/c1-14(2)15-6-8-16(9-7-15)18(3,4)19-17(22)21-12-10-20(5)11-13-21/h6-9H,1,10-13H2,2-5H3,(H,19,22)
InChIKeyXPQFWWZZFUCNDL-UHFFFAOYSA-N
XLogP2.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 17400262
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4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
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N-benzyl-4-cyclopentylpiperazine-1-carboxamide
CID 40012125
5-Methyl-1-(1-phenethyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522613
1-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
CID 748213
N-benzyl-4-ethylpiperazine-1-carboxamide
CID 858176
2-(4-benzylpiperazin-1-yl)-N-(tert-butylcarbamoyl)acetamide
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1-Tert-butyl-3-(alpha-methylbenzyl)urea
CID 306576
1-(4-Ethylbenzyl)piperazine
CID 769677
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CID 604036

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide (CID 657479) is 4-methyl-N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide is C=C(C)c1ccc(C(C)(C)NC(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is XPQFWWZZFUCNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14(2)15-6-8-16(9-7-15)18(3,4)19-17(22)21-12-10-20(5)11-13-21/h6-9H,1,10-13H2,2-5H3,(H,19,22).
What are the key properties of 4-methyl-N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
4-methyl-N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 657479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).