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

C16H31N3O — CID 65242512

IUPAC2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide
SMILESCNC1(CC(=O)NCC2CCCN(C)C2)CCCCC1
InChIInChI=1S/C16H31N3O/c1-17-16(8-4-3-5-9-16)11-15(20)18-12-14-7-6-10-19(2)13-14/h14,17H,3-13H2,1-2H3,(H,18,20)
InChIKeyRCTHRRMRAHALBF-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.76
Rot. Bonds5

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

2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide (PubChem CID 65242512) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide
PubChem CID65242512
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide
SMILESCNC1(CC(=O)NCC2CCCN(C)C2)CCCCC1
InChIInChI=1S/C16H31N3O/c1-17-16(8-4-3-5-9-16)11-15(20)18-12-14-7-6-10-19(2)13-14/h14,17H,3-13H2,1-2H3,(H,18,20)
InChIKeyRCTHRRMRAHALBF-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 106026215
N-[(3-hydroxycyclopentyl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 106133987
2-[1-(methylamino)cyclohexyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 65240925
1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55035175
N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide
CID 65419155
methyl 1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclobutane-1-carboxylate
CID 115184300
2-[1-(methylamino)cyclohexyl]-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107418498
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240963
N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 95201029
N-ethyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240911
1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid
CID 115000516
4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 115157360

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide?
The IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide (CID 65242512) is 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide is CNC1(CC(=O)NCC2CCCN(C)C2)CCCCC1.
What is the InChIKey of 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide?
The InChIKey is RCTHRRMRAHALBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-17-16(8-4-3-5-9-16)11-15(20)18-12-14-7-6-10-19(2)13-14/h14,17H,3-13H2,1-2H3,(H,18,20).
What are the key properties of 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide?
2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide is sourced from PubChem (CID 65242512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).