2-[(1R)-2,2-dimethylcyclohexyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide

C17H32N2O — CID 164631415

IUPAC2-[(1R)-2,2-dimethylcyclohexyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(CNC(=O)C[C@H]2CCCCC2(C)C)CC1
InChIInChI=1S/C17H32N2O/c1-17(2)9-5-4-6-15(17)12-16(20)18-13-14-7-10-19(3)11-8-14/h14-15H,4-13H2,1-3H3,(H,18,20)/t15-/m1/s1
InChIKeyJWTNHZIZJNJZMK-OAHLLOKOSA-N
MW280.46 g/mol
LogP3.05
Rot. Bonds4

About 2-[(1R)-2,2-dimethylcyclohexyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide

2-[(1R)-2,2-dimethylcyclohexyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide (PubChem CID 164631415) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-[(1R)-2,2-dimethylcyclohexyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-2,2-dimethylcyclohexyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide
PubChem CID164631415
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-[(1R)-2,2-dimethylcyclohexyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(CNC(=O)C[C@H]2CCCCC2(C)C)CC1
InChIInChI=1S/C17H32N2O/c1-17(2)9-5-4-6-15(17)12-16(20)18-13-14-7-10-19(3)11-8-14/h14-15H,4-13H2,1-3H3,(H,18,20)/t15-/m1/s1
InChIKeyJWTNHZIZJNJZMK-OAHLLOKOSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-(2,2-dimethylcyclohexyl)acetamide
CID 126770226
N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-2-[(1R)-2,2-dimethylcyclohexyl]acetamide
CID 99819052
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119866892
1-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55035174
3-(cyclopentylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902528
N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide
CID 65419153
1-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 65465788
3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902822
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81155945
1-(hydroxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 115182298
N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 62654686

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,2-dimethylcyclohexyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-[(1R)-2,2-dimethylcyclohexyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide (CID 164631415) is 2-[(1R)-2,2-dimethylcyclohexyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(1R)-2,2-dimethylcyclohexyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(1R)-2,2-dimethylcyclohexyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide is CN1CCC(CNC(=O)C[C@H]2CCCCC2(C)C)CC1.
What is the InChIKey of 2-[(1R)-2,2-dimethylcyclohexyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
The InChIKey is JWTNHZIZJNJZMK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H32N2O/c1-17(2)9-5-4-6-15(17)12-16(20)18-13-14-7-10-19(3)11-8-14/h14-15H,4-13H2,1-3H3,(H,18,20)/t15-/m1/s1.
What are the key properties of 2-[(1R)-2,2-dimethylcyclohexyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
2-[(1R)-2,2-dimethylcyclohexyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide has a molecular weight of 280.46 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,2-dimethylcyclohexyl]-N-[(1-methylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 164631415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).