N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide

C13H27N3O — CID 109016229

IUPACN-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
SMILESCC1CCCN(CCC(=O)NCCN(C)C)C1
InChIInChI=1S/C13H27N3O/c1-12-5-4-8-16(11-12)9-6-13(17)14-7-10-15(2)3/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeyUUYNAVAJPVBIHN-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.79
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide

N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide (PubChem CID 109016229) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
PubChem CID109016229
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
SMILESCC1CCCN(CCC(=O)NCCN(C)C)C1
InChIInChI=1S/C13H27N3O/c1-12-5-4-8-16(11-12)9-6-13(17)14-7-10-15(2)3/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeyUUYNAVAJPVBIHN-UHFFFAOYSA-N
XLogP0.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 125440543
5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide
CID 86889175
N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523021
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
2-methoxy-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94116180
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109019797
3-[3-(3-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215755
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]propanamide
CID 95349181
N-[2-(3-methoxyphenyl)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109025513
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 95351505
4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid
CID 52983770

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide (CID 109016229) is N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide is CC1CCCN(CCC(=O)NCCN(C)C)C1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide?
The InChIKey is UUYNAVAJPVBIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12-5-4-8-16(11-12)9-6-13(17)14-7-10-15(2)3/h12H,4-11H2,1-3H3,(H,14,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide?
N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 109016229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).