3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide

C13H27N3O2 — CID 112700219

IUPAC3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC1CCN(C)C(C)C1
InChIInChI=1S/C13H27N3O2/c1-11-10-12(5-8-16(11)2)14-6-4-13(17)15-7-9-18-3/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyCHSMDKCKPLWYIV-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.21
Rot. Bonds7

About 3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide

3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 112700219) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID112700219
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC1CCN(C)C(C)C1
InChIInChI=1S/C13H27N3O2/c1-11-10-12(5-8-16(11)2)14-6-4-13(17)15-7-9-18-3/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyCHSMDKCKPLWYIV-UHFFFAOYSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide
CID 115765451
N-(2-methoxyethyl)-3-[(3-methylcyclopentyl)amino]propanamide
CID 115652663
2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide
CID 81301265
N-(2-methoxyethyl)-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propanamide
CID 115592406
3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide
CID 109015383
3-(2,3-dihydro-1H-inden-2-ylamino)-N-(2-methoxyethyl)propanamide
CID 115711983
1,2-dimethyl-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 81332995
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 112701684
1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine
CID 81302152
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,2-dimethylpiperidin-4-amine
CID 107094111
N-[3-(cyclopropylmethoxy)propyl]-1,2-dimethylpiperidin-4-amine
CID 81301163
N-(3,3-dimethylbutyl)-1,2-dimethylpiperidin-4-amine
CID 81332844

Frequently Asked Questions

What is the IUPAC name of 3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide (CID 112700219) is 3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNC1CCN(C)C(C)C1.
What is the InChIKey of 3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is CHSMDKCKPLWYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11-10-12(5-8-16(11)2)14-6-4-13(17)15-7-9-18-3/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide?
3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 257.38 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 112700219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).