N-(3,4-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide

C16H31N3O — CID 80550013

IUPACN-(3,4-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC1CCC(NC(=O)C(C)(C)N2CCNCC2)CC1C
InChIInChI=1S/C16H31N3O/c1-12-5-6-14(11-13(12)2)18-15(20)16(3,4)19-9-7-17-8-10-19/h12-14,17H,5-11H2,1-4H3,(H,18,20)
InChIKeyGSDZHLRGRXYINY-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.61
Rot. Bonds3

About N-(3,4-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide

N-(3,4-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80550013) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80550013
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-(3,4-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC1CCC(NC(=O)C(C)(C)N2CCNCC2)CC1C
InChIInChI=1S/C16H31N3O/c1-12-5-6-14(11-13(12)2)18-15(20)16(3,4)19-9-7-17-8-10-19/h12-14,17H,5-11H2,1-4H3,(H,18,20)
InChIKeyGSDZHLRGRXYINY-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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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide (CID 80550013) is N-(3,4-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide is CC1CCC(NC(=O)C(C)(C)N2CCNCC2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is GSDZHLRGRXYINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12-5-6-14(11-13(12)2)18-15(20)16(3,4)19-9-7-17-8-10-19/h12-14,17H,5-11H2,1-4H3,(H,18,20).
What are the key properties of N-(3,4-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(3,4-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-(3,4-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80550013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).