N-(dimethylcarbamoyl)-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide;hydrochloride

C18H27ClN4O2 — CID 6448069

IUPACN-(dimethylcarbamoyl)-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide;hydrochloride
SMILESCN(C)C(=O)N(C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-19(2)17(23)20(3)18(24)22-14-12-21(13-15-22)11-7-10-16-8-5-4-6-9-16;/h4-10H,11-15H2,1-3H3;1H/b10-7+;
InChIKeyKVGROWORQUOSJG-HCUGZAAXSA-N
MW366.89 g/mol
LogP2.47
Rot. Bonds3

About N-(dimethylcarbamoyl)-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide;hydrochloride

N-(dimethylcarbamoyl)-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide;hydrochloride (PubChem CID 6448069) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-(dimethylcarbamoyl)-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(dimethylcarbamoyl)-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide;hydrochloride
PubChem CID6448069
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC NameN-(dimethylcarbamoyl)-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide;hydrochloride
SMILESCN(C)C(=O)N(C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-19(2)17(23)20(3)18(24)22-14-12-21(13-15-22)11-7-10-16-8-5-4-6-9-16;/h4-10H,11-15H2,1-3H3;1H/b10-7+;
InChIKeyKVGROWORQUOSJG-HCUGZAAXSA-N
XLogP2.47
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylcarbamoyl)-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-(dimethylcarbamoyl)-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide;hydrochloride (CID 6448069) is N-(dimethylcarbamoyl)-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(dimethylcarbamoyl)-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(dimethylcarbamoyl)-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide;hydrochloride is CN(C)C(=O)N(C)C(=O)N1CCN(C/C=C/c2ccccc2)CC1.Cl.
What is the InChIKey of N-(dimethylcarbamoyl)-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide;hydrochloride?
The InChIKey is KVGROWORQUOSJG-HCUGZAAXSA-N. The full InChI is InChI=1S/C18H26N4O2.ClH/c1-19(2)17(23)20(3)18(24)22-14-12-21(13-15-22)11-7-10-16-8-5-4-6-9-16;/h4-10H,11-15H2,1-3H3;1H/b10-7+;.
What are the key properties of N-(dimethylcarbamoyl)-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide;hydrochloride?
N-(dimethylcarbamoyl)-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylcarbamoyl)-N-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 6448069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).