2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide

C17H33N3O — CID 106592894

IUPAC2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
SMILESCC(C(=O)N(C)CC1CCN(C)CC1)C1CCCC(N)C1
InChIInChI=1S/C17H33N3O/c1-13(15-5-4-6-16(18)11-15)17(21)20(3)12-14-7-9-19(2)10-8-14/h13-16H,4-12,18H2,1-3H3
InChIKeyMIQGMEFASGWBHY-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.94
Rot. Bonds4

About 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide

2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide (PubChem CID 106592894) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
PubChem CID106592894
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
SMILESCC(C(=O)N(C)CC1CCN(C)CC1)C1CCCC(N)C1
InChIInChI=1S/C17H33N3O/c1-13(15-5-4-6-16(18)11-15)17(21)20(3)12-14-7-9-19(2)10-8-14/h13-16H,4-12,18H2,1-3H3
InChIKeyMIQGMEFASGWBHY-UHFFFAOYSA-N
XLogP1.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106592896
2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide
CID 106592908
2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide
CID 106593084
2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106592732
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 63234589
3-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid
CID 115164651
2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 76988468
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide
CID 106592635
2-(3-aminocyclohexyl)-N,N-dibutylpropanamide
CID 106592670
2-(3-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-cyclopentylpropanamide
CID 106592765
4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 81079366

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide (CID 106592894) is 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide is CC(C(=O)N(C)CC1CCN(C)CC1)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
The InChIKey is MIQGMEFASGWBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-13(15-5-4-6-16(18)11-15)17(21)20(3)12-14-7-9-19(2)10-8-14/h13-16H,4-12,18H2,1-3H3.
What are the key properties of 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide has a molecular weight of 295.47 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 106592894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).