2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide

C17H33N3O — CID 107163897

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(C)(CNC(=O)CC2(CN)CCCCC2)CC1
InChIInChI=1S/C17H33N3O/c1-16(8-10-20(2)11-9-16)14-19-15(21)12-17(13-18)6-4-3-5-7-17/h3-14,18H2,1-2H3,(H,19,21)
InChIKeyJCJBIMJGNVGYIN-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.13
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide

2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide (PubChem CID 107163897) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
PubChem CID107163897
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(C)(CNC(=O)CC2(CN)CCCCC2)CC1
InChIInChI=1S/C17H33N3O/c1-16(8-10-20(2)11-9-16)14-19-15(21)12-17(13-18)6-4-3-5-7-17/h3-14,18H2,1-2H3,(H,19,21)
InChIKeyJCJBIMJGNVGYIN-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 651966
1-(4-Piperidin-4-ylpiperidin-1-yl)pentadecan-1-one;hydrochloride
CID 11532034
1-[4-(2-Piperidin-4-ylethyl)piperidin-1-yl]pentadecan-1-one;hydrochloride
CID 11612247
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(3,3-dimethylbutyl)acetamide
CID 49853886
2-Azaspiro[5.5]undecan-1-one
CID 50944332
3-Dodecylpiperidin-2-one
CID 67992079
1-(4-Piperidin-4-ylpiperidin-1-yl)heptadecan-1-one;hydrochloride
CID 11532641
1-(4-Piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride
CID 11661301
N-((1-isopropylpiperidin-4-yl)methyl)cyclohexanecarboxamide
CID 16895432
N-[3-(4-methylpiperidin-1-yl)propyl]cyclohexanecarboxamide
CID 45850479
2-Cyclohexyl-1-(2,9-diazaspiro[4.5]decan-2-yl)ethanone
CID 128886921
3-Cyclohexyl-3-[2-(diethylamino)ethyl]piperidine-2,6-dione;hydrochloride
CID 370637

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide (CID 107163897) is 2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide is CN1CCC(C)(CNC(=O)CC2(CN)CCCCC2)CC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
The InChIKey is JCJBIMJGNVGYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-16(8-10-20(2)11-9-16)14-19-15(21)12-17(13-18)6-4-3-5-7-17/h3-14,18H2,1-2H3,(H,19,21).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide has a molecular weight of 295.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 107163897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).