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

C13H27ClN4O2 — CID 3066981

IUPAC4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride
SMILESCCCCN1CCN(C(=O)N(C)C(=O)N(C)C)CC1.Cl
InChIInChI=1S/C13H26N4O2.ClH/c1-5-6-7-16-8-10-17(11-9-16)13(19)15(4)12(18)14(2)3;/h5-11H2,1-4H3;1H
InChIKeyPONCYOBMDDLGJF-UHFFFAOYSA-N
MW306.84 g/mol
LogP1.56
Rot. Bonds3

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

4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride (PubChem CID 3066981) has the molecular formula C13H27ClN4O2 and a molecular weight of 306.84 g/mol. Its IUPAC name is 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride
PubChem CID3066981
Molecular FormulaC13H27ClN4O2
Molecular Weight306.84 g/mol
Exact Mass306.18
IUPAC Name4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride
SMILESCCCCN1CCN(C(=O)N(C)C(=O)N(C)C)CC1.Cl
InChIInChI=1S/C13H26N4O2.ClH/c1-5-6-7-16-8-10-17(11-9-16)13(19)15(4)12(18)14(2)3;/h5-11H2,1-4H3;1H
InChIKeyPONCYOBMDDLGJF-UHFFFAOYSA-N
XLogP1.56
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,N',N',2-pentamethyl-1,4-piperazinedicarboxamide
CID 3151560
1-Piperazinecarboxamide, N-((dimethylamino)carbonyl)-N-methyl-4-(1-methylethyl)-, monohydrochloride
CID 3066979
1,3,5-tripropyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CID 77630
N1,N1,N4,N4-tetramethylpiperazine-1,4-dicarboxamide
CID 654698
Cambridge id 6747209
CID 831783
1-Piperazinecarboxamide, 4-cyclohexyl-N-((dimethylamino)carbonyl)-N-methyl-, monohydrochloride
CID 3066975
1-Piperazinecarboxamide, N,4-dimethyl-N-((dimethylamino)carbonyl)-, monohydrochloride
CID 3066977
1,3,5-Tributyl-1,3,5-triazinane-2,4,6-trione
CID 617924
N,N-dimethyl-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide
CID 49769257
N1,N1,N4-trimethyl-N4-(2-pyrrolidin-1-ylethyl)piperazine-1,4-dicarboxamide
CID 49769258
N,N-diethyl-4-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide
CID 49769270
1,3,5-Tris-(2'-diethylaminoethyl)-1,3,5-triazine-2,4,6-trione
CID 15289721

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride (CID 3066981) is 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride is CCCCN1CCN(C(=O)N(C)C(=O)N(C)C)CC1.Cl.
What is the InChIKey of 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is PONCYOBMDDLGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2.ClH/c1-5-6-7-16-8-10-17(11-9-16)13(19)15(4)12(18)14(2)3;/h5-11H2,1-4H3;1H.
What are the key properties of 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride?
4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(dimethylcarbamoyl)-N-methylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 3066981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).