N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide

C19H27N3O — CID 108915580

IUPACN-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(c2cccc(C)c2C)CC1)C1CC1
InChIInChI=1S/C19H27N3O/c1-14-5-4-6-18(16(14)3)21-9-11-22(12-10-21)19(23)20-13-15(2)17-7-8-17/h4-6,13,17H,7-12H2,1-3H3,(H,20,23)/b15-13+
InChIKeyZVSKTFDNADJCNE-FYWRMAATSA-N
MW313.44 g/mol
LogP3.45
Rot. Bonds3

About N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide

N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 108915580) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
PubChem CID108915580
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(c2cccc(C)c2C)CC1)C1CC1
InChIInChI=1S/C19H27N3O/c1-14-5-4-6-18(16(14)3)21-9-11-22(12-10-21)19(23)20-13-15(2)17-7-8-17/h4-6,13,17H,7-12H2,1-3H3,(H,20,23)/b15-13+
InChIKeyZVSKTFDNADJCNE-FYWRMAATSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-2-cyclopropylprop-1-enyl]-4-phenylpiperazine-1-carboxamide
CID 108915581
N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 25349553
4-(2,3-dimethylphenyl)-N-[(E)-2-(2-methylphenyl)ethenyl]piperazine-1-carboxamide;hydrochloride
CID 108903729
N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108902650
N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108868301
4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride
CID 108913341
N-[(E)-2-cyclopropylprop-1-enyl]pyrrolidine-1-carboxamide
CID 108915443
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 110687151
N-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide
CID 108915415
1-(4-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891
4-(2,3-dimethylphenyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide
CID 108905964

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide (CID 108915580) is N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide is C/C(=C\NC(=O)N1CCN(c2cccc(C)c2C)CC1)C1CC1.
What is the InChIKey of N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is ZVSKTFDNADJCNE-FYWRMAATSA-N. The full InChI is InChI=1S/C19H27N3O/c1-14-5-4-6-18(16(14)3)21-9-11-22(12-10-21)19(23)20-13-15(2)17-7-8-17/h4-6,13,17H,7-12H2,1-3H3,(H,20,23)/b15-13+.
What are the key properties of N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide?
N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108915580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).