2-[4-(aminomethyl)cyclohexyl]-N-(2,6-dimethylpiperidin-1-yl)acetamide

C16H31N3O — CID 83024120

IUPAC2-[4-(aminomethyl)cyclohexyl]-N-(2,6-dimethylpiperidin-1-yl)acetamide
SMILESCC1CCCC(C)N1NC(=O)CC1CCC(CN)CC1
InChIInChI=1S/C16H31N3O/c1-12-4-3-5-13(2)19(12)18-16(20)10-14-6-8-15(11-17)9-7-14/h12-15H,3-11,17H2,1-2H3,(H,18,20)
InChIKeySJAQEQJWBSDHJW-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.44
Rot. Bonds4

About 2-[4-(aminomethyl)cyclohexyl]-N-(2,6-dimethylpiperidin-1-yl)acetamide

2-[4-(aminomethyl)cyclohexyl]-N-(2,6-dimethylpiperidin-1-yl)acetamide (PubChem CID 83024120) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexyl]-N-(2,6-dimethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexyl]-N-(2,6-dimethylpiperidin-1-yl)acetamide
PubChem CID83024120
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[4-(aminomethyl)cyclohexyl]-N-(2,6-dimethylpiperidin-1-yl)acetamide
SMILESCC1CCCC(C)N1NC(=O)CC1CCC(CN)CC1
InChIInChI=1S/C16H31N3O/c1-12-4-3-5-13(2)19(12)18-16(20)10-14-6-8-15(11-17)9-7-14/h12-15H,3-11,17H2,1-2H3,(H,18,20)
InChIKeySJAQEQJWBSDHJW-UHFFFAOYSA-N
XLogP2.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-(2,6-dimethylpiperidin-1-yl)acetamide
CID 83021754
2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104968929
N-(2,6-dimethylpiperidin-1-yl)-2-(ethylamino)acetamide
CID 83020995
2-amino-N-[2-[(2,6-dimethylpiperidin-1-yl)amino]-2-oxoethyl]acetamide
CID 83020997
3-[(2,6-dimethylpiperidin-1-yl)amino]-3-oxopropanoic acid
CID 83024199
N-(2,6-dimethylpiperidin-1-yl)-2-methoxyacetamide
CID 70906561
3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide
CID 83021752
2-(2-aminophenyl)-N-(2,6-dimethylpiperidin-1-yl)acetamide
CID 83012801
(3S)-3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-5-methylhexanamide
CID 83020793
2-[4-(aminomethyl)cyclohexyl]-N-(cyclopentylmethyl)acetamide
CID 63613215
2-[4-(aminomethyl)cyclohexyl]-N-(2-piperidin-1-ylethyl)acetamide
CID 63613064
2-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)-4,4-dimethylpentanamide
CID 107472618

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-(2,6-dimethylpiperidin-1-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-(2,6-dimethylpiperidin-1-yl)acetamide (CID 83024120) is 2-[4-(aminomethyl)cyclohexyl]-N-(2,6-dimethylpiperidin-1-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexyl]-N-(2,6-dimethylpiperidin-1-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexyl]-N-(2,6-dimethylpiperidin-1-yl)acetamide is CC1CCCC(C)N1NC(=O)CC1CCC(CN)CC1.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexyl]-N-(2,6-dimethylpiperidin-1-yl)acetamide?
The InChIKey is SJAQEQJWBSDHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12-4-3-5-13(2)19(12)18-16(20)10-14-6-8-15(11-17)9-7-14/h12-15H,3-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-(aminomethyl)cyclohexyl]-N-(2,6-dimethylpiperidin-1-yl)acetamide?
2-[4-(aminomethyl)cyclohexyl]-N-(2,6-dimethylpiperidin-1-yl)acetamide has a molecular weight of 281.44 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexyl]-N-(2,6-dimethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 83024120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).