2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide

C16H31N3O — CID 63613912

IUPAC2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
SMILESCN1CCCC(N(C)C(=O)CC2CCC(CN)CC2)C1
InChIInChI=1S/C16H31N3O/c1-18-9-3-4-15(12-18)19(2)16(20)10-13-5-7-14(11-17)8-6-13/h13-15H,3-12,17H2,1-2H3
InChIKeyMHIBDQCXMOXGRK-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.69
Rot. Bonds4

About 2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide

2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide (PubChem CID 63613912) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
PubChem CID63613912
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
SMILESCN1CCCC(N(C)C(=O)CC2CCC(CN)CC2)C1
InChIInChI=1S/C16H31N3O/c1-18-9-3-4-15(12-18)19(2)16(20)10-13-5-7-14(11-17)8-6-13/h13-15H,3-12,17H2,1-2H3
InChIKeyMHIBDQCXMOXGRK-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
2-(azetidin-3-yl)-N-methyl-N-(1-methylpiperidin-3-yl)acetamide
CID 64610616
N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 79532954
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
2-amino-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]acetamide
CID 66565800
4-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 115151057
2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)butanamide
CID 62547118
N-(4-hydroxycyclohexyl)-N-methyl-2-(1-methylpiperidin-3-yl)acetamide
CID 115277429
2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]-4-oxobutanoic acid
CID 115165054
4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide
CID 115156994
5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide
CID 62546411
N-methyl-N-(1-methylpiperidin-3-yl)-2-oxopropanamide
CID 115175567

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide (CID 63613912) is 2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide is CN1CCCC(N(C)C(=O)CC2CCC(CN)CC2)C1.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide?
The InChIKey is MHIBDQCXMOXGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-18-9-3-4-15(12-18)19(2)16(20)10-13-5-7-14(11-17)8-6-13/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide?
2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexyl]-N-methyl-N-(1-methylpiperidin-3-yl)acetamide is sourced from PubChem (CID 63613912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).