N-(2,3-dimethylcyclohexyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide

C16H31N3O — CID 65462596

IUPACN-(2,3-dimethylcyclohexyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide
SMILESCC1CCCC(NC(=O)CN2CCNCC2(C)C)C1C
InChIInChI=1S/C16H31N3O/c1-12-6-5-7-14(13(12)2)18-15(20)10-19-9-8-17-11-16(19,3)4/h12-14,17H,5-11H2,1-4H3,(H,18,20)
InChIKeyNLPVYHNYCCQKGM-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.61
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide

N-(2,3-dimethylcyclohexyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide (PubChem CID 65462596) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide
PubChem CID65462596
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide
SMILESCC1CCCC(NC(=O)CN2CCNCC2(C)C)C1C
InChIInChI=1S/C16H31N3O/c1-12-6-5-7-14(13(12)2)18-15(20)10-19-9-8-17-11-16(19,3)4/h12-14,17H,5-11H2,1-4H3,(H,18,20)
InChIKeyNLPVYHNYCCQKGM-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-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide
CID 28881157
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 120771673
2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide
CID 65460562
N-(2,3-dimethylcyclohexyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119676189
1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441762
1-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 18271170
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 95165836
N-(2,3-dimethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548354
2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide
CID 65462771
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide
CID 28587516
N-(2,3-dimethylcyclohexyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905606
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-4-morpholin-4-yl-4-oxobutanamide
CID 28587515

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide (CID 65462596) is N-(2,3-dimethylcyclohexyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide is CC1CCCC(NC(=O)CN2CCNCC2(C)C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide?
The InChIKey is NLPVYHNYCCQKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12-6-5-7-14(13(12)2)18-15(20)10-19-9-8-17-11-16(19,3)4/h12-14,17H,5-11H2,1-4H3,(H,18,20).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide?
N-(2,3-dimethylcyclohexyl)-2-(2,2-dimethylpiperazin-1-yl)acetamide 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-(2,2-dimethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 65462596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).