4-cyclohexyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride

C15H29ClN4O2 — CID 3066975

IUPAC4-cyclohexyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride
SMILESCN(C)C(=O)N(C)C(=O)N1CCN(C2CCCCC2)CC1.Cl
InChIInChI=1S/C15H28N4O2.ClH/c1-16(2)14(20)17(3)15(21)19-11-9-18(10-12-19)13-7-5-4-6-8-13;/h13H,4-12H2,1-3H3;1H
InChIKeyVGFDHJQHBYUMAN-UHFFFAOYSA-N
MW332.88 g/mol
LogP2.09
Rot. Bonds1

About 4-cyclohexyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride

4-cyclohexyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride (PubChem CID 3066975) has the molecular formula C15H29ClN4O2 and a molecular weight of 332.88 g/mol. Its IUPAC name is 4-cyclohexyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-cyclohexyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride
PubChem CID3066975
Molecular FormulaC15H29ClN4O2
Molecular Weight332.88 g/mol
Exact Mass332.20
IUPAC Name4-cyclohexyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride
SMILESCN(C)C(=O)N(C)C(=O)N1CCN(C2CCCCC2)CC1.Cl
InChIInChI=1S/C15H28N4O2.ClH/c1-16(2)14(20)17(3)15(21)19-11-9-18(10-12-19)13-7-5-4-6-8-13;/h13H,4-12H2,1-3H3;1H
InChIKeyVGFDHJQHBYUMAN-UHFFFAOYSA-N
XLogP2.09
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-cyclohexyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride (CID 3066975) is 4-cyclohexyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-cyclohexyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-cyclohexyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride is CN(C)C(=O)N(C)C(=O)N1CCN(C2CCCCC2)CC1.Cl.
What is the InChIKey of 4-cyclohexyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is VGFDHJQHBYUMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2.ClH/c1-16(2)14(20)17(3)15(21)19-11-9-18(10-12-19)13-7-5-4-6-8-13;/h13H,4-12H2,1-3H3;1H.
What are the key properties of 4-cyclohexyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride?
4-cyclohexyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 3066975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).