N-(2,3-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide

C16H31N3O — CID 80548354

IUPACN-(2,3-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC1CCCC(NC(=O)C(C)(C)N2CCNCC2)C1C
InChIInChI=1S/C16H31N3O/c1-12-6-5-7-14(13(12)2)18-15(20)16(3,4)19-10-8-17-9-11-19/h12-14,17H,5-11H2,1-4H3,(H,18,20)
InChIKeyRNWSANVULYCATE-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.61
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide

N-(2,3-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80548354) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80548354
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC1CCCC(NC(=O)C(C)(C)N2CCNCC2)C1C
InChIInChI=1S/C16H31N3O/c1-12-6-5-7-14(13(12)2)18-15(20)16(3,4)19-10-8-17-9-11-19/h12-14,17H,5-11H2,1-4H3,(H,18,20)
InChIKeyRNWSANVULYCATE-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 107222046
N-[2-(hydroxymethyl)cyclohexyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 106361497
N-(2,3-dimethylcyclohexyl)-2-hydroxy-2-methylpropanamide
CID 103429431
2-amino-2-cyclopropyl-N-(2,3-dimethylcyclohexyl)propanamide
CID 54924834
N-(3,4-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550013
2-(1,4-diazepan-1-yl)-N-(2,3-dimethylcyclohexyl)-2-oxoacetamide
CID 43327567
2-methyl-N-(3-methylcyclopentyl)-2-piperazin-1-ylpropanamide
CID 114546276
N-(3,5-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80549992
N-(2,2-dimethylcyclopentyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80551079
1-tert-butyl-3-(2,3-dimethylcyclohexyl)urea
CID 115569990
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 80547935
N-(4-ethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548807

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide (CID 80548354) is N-(2,3-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide is CC1CCCC(NC(=O)C(C)(C)N2CCNCC2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is RNWSANVULYCATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12-6-5-7-14(13(12)2)18-15(20)16(3,4)19-10-8-17-9-11-19/h12-14,17H,5-11H2,1-4H3,(H,18,20).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(2,3-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 281.44 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).