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

C17H33N3O — CID 63235356

IUPAC3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
SMILESCN1CCC(CN(C)C(=O)CCC2CCC(N)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-19-11-9-15(10-12-19)13-20(2)17(21)8-5-14-3-6-16(18)7-4-14/h14-16H,3-13,18H2,1-2H3
InChIKeyZNYNKNHGKTWURA-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.08
Rot. Bonds5

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

3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide (PubChem CID 63235356) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
PubChem CID63235356
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
SMILESCN1CCC(CN(C)C(=O)CCC2CCC(N)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-19-11-9-15(10-12-19)13-20(2)17(21)8-5-14-3-6-16(18)7-4-14/h14-16H,3-13,18H2,1-2H3
InChIKeyZNYNKNHGKTWURA-UHFFFAOYSA-N
XLogP2.08
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N,4,4-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]hexanamide
CID 65291673
5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexanamide
CID 82851487
2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid
CID 65300009
3-(4-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 55227765
2-methoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 63297553
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 165116548
4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 81079366
3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63234884
3-amino-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 115192849
N-[(4-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 60850713
3-(4-aminocyclohexyl)-N-methyl-N-(2-methylsulfonylethyl)propanamide
CID 79864897
3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 106918215

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of 3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide (CID 63235356) is 3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for 3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide is CN1CCC(CN(C)C(=O)CCC2CCC(N)CC2)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
The InChIKey is ZNYNKNHGKTWURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-19-11-9-15(10-12-19)13-20(2)17(21)8-5-14-3-6-16(18)7-4-14/h14-16H,3-13,18H2,1-2H3.
What are the key properties of 3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide has a molecular weight of 295.47 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 63235356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).