N-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide

C12H26N4O — CID 55177258

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C1CNCCN1
InChIInChI=1S/C12H26N4O/c1-12(2,9-16(3)4)8-15-11(17)10-7-13-5-6-14-10/h10,13-14H,5-9H2,1-4H3,(H,15,17)
InChIKeyLSVHSQJBJAMLLF-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.75
Rot. Bonds5

About N-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide (PubChem CID 55177258) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide
PubChem CID55177258
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C1CNCCN1
InChIInChI=1S/C12H26N4O/c1-12(2,9-16(3)4)8-15-11(17)10-7-13-5-6-14-10/h10,13-14H,5-9H2,1-4H3,(H,15,17)
InChIKeyLSVHSQJBJAMLLF-UHFFFAOYSA-N
XLogP-0.75
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylpropyl)piperazine-2-carboxamide
CID 63103456
N-(2-methoxy-2-methylpropyl)piperazine-2-carboxamide
CID 104761988
(3R,5S)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]pyrrolidine-3-sulfonic acid
CID 140895557
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908525
ethyl 2-(piperazine-2-carbonylamino)acetate
CID 54250774
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpiperidine-2-carboxamide
CID 62340118
(2R)-N-(2-hydroxyethyl)piperazine-2-carboxamide
CID 129371742
N-(3-methylpentan-3-yl)piperazine-2-carboxamide
CID 106329297
(2R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]piperidine-2-carboxamide
CID 106148323
N,N-dimethylpiperazine-2-carboxamide
CID 21295694
N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide
CID 83121811
N-(4-amino-2-methyl-4-oxobutan-2-yl)piperazine-2-carboxamide
CID 106096831

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide (CID 55177258) is N-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide is CN(C)CC(C)(C)CNC(=O)C1CNCCN1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide?
The InChIKey is LSVHSQJBJAMLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-12(2,9-16(3)4)8-15-11(17)10-7-13-5-6-14-10/h10,13-14H,5-9H2,1-4H3,(H,15,17).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide has a molecular weight of 242.37 g/mol, XLogP of -0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide is sourced from PubChem (CID 55177258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).