N,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide

C12H25N3O — CID 115177823

IUPACN,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide
SMILESCC(C)CCN(C)C(=O)C1CNCCN1C
InChIInChI=1S/C12H25N3O/c1-10(2)5-7-15(4)12(16)11-9-13-6-8-14(11)3/h10-11,13H,5-9H2,1-4H3
InChIKeyYKRLRDLVSSJCCD-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.39
Rot. Bonds4

About N,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide

N,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide (PubChem CID 115177823) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide
PubChem CID115177823
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide
SMILESCC(C)CCN(C)C(=O)C1CNCCN1C
InChIInChI=1S/C12H25N3O/c1-10(2)5-7-15(4)12(16)11-9-13-6-8-14(11)3/h10-11,13H,5-9H2,1-4H3
InChIKeyYKRLRDLVSSJCCD-UHFFFAOYSA-N
XLogP0.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexylethyl)-N,1-dimethylpiperazine-2-carboxamide
CID 115177890
N,1-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]piperazine-2-carboxamide
CID 115177847
N-methoxy-N,1-dimethylpiperazine-2-carboxamide
CID 58137843
(3S)-N-methyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 81129333
N,3-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]butan-1-amine
CID 115239639
propan-2-yl 1-methylpiperazine-2-carboxylate
CID 175918084
1-methylpiperazine-2-carboxylic acid;hydrochloride
CID 91989357
ethane;1-(1-methylpiperazin-2-yl)ethanone
CID 142036342
1-methylpiperazine-2-carboxamide;dihydrochloride
CID 23145861
2-amino-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62777186
N,2-dimethyl-N-[2-(1-methylpiperazin-2-yl)ethyl]propan-1-amine
CID 115239559
N-(3,4-dimethylphenyl)-N,1-dimethylpiperazine-2-carboxamide
CID 115177749

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide?
The IUPAC name of N,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide (CID 115177823) is N,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide?
The canonical SMILES for N,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide is CC(C)CCN(C)C(=O)C1CNCCN1C.
What is the InChIKey of N,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide?
The InChIKey is YKRLRDLVSSJCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)5-7-15(4)12(16)11-9-13-6-8-14(11)3/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide?
N,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(3-methylbutyl)piperazine-2-carboxamide is sourced from PubChem (CID 115177823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).