N-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide

C19H27N3O — CID 108911886

IUPACN-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)N/C=C/C3CCCC3)CC2)c1
InChIInChI=1S/C19H27N3O/c1-16-5-4-8-18(15-16)21-11-13-22(14-12-21)19(23)20-10-9-17-6-2-3-7-17/h4-5,8-10,15,17H,2-3,6-7,11-14H2,1H3,(H,20,23)/b10-9+
InChIKeyTVKHVSALWNMVBE-MDZDMXLPSA-N
MW313.44 g/mol
LogP3.53
Rot. Bonds3

About N-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide

N-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 108911886) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID108911886
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)N/C=C/C3CCCC3)CC2)c1
InChIInChI=1S/C19H27N3O/c1-16-5-4-8-18(15-16)21-11-13-22(14-12-21)19(23)20-10-9-17-6-2-3-7-17/h4-5,8-10,15,17H,2-3,6-7,11-14H2,1H3,(H,20,23)/b10-9+
InChIKeyTVKHVSALWNMVBE-MDZDMXLPSA-N
XLogP3.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
N-cyclopentyl-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108506027
4-(3-methylphenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide
CID 134006709
4-(3-chlorophenyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
CID 108907438
2,2-dimethyl-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958401
[4-(3-methylphenyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 18073007
[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131849
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde
CID 108988584
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 57367851
N-cyclohexyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159467
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide (CID 108911886) is N-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)N/C=C/C3CCCC3)CC2)c1.
What is the InChIKey of N-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is TVKHVSALWNMVBE-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H27N3O/c1-16-5-4-8-18(15-16)21-11-13-22(14-12-21)19(23)20-10-9-17-6-2-3-7-17/h4-5,8-10,15,17H,2-3,6-7,11-14H2,1H3,(H,20,23)/b10-9+.
What are the key properties of N-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide?
N-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-cyclopentylethenyl]-4-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108911886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).