N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide

C13H27N3O — CID 20719712

IUPACN-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide
SMILESCN(C)CCNC(=O)CCC1CCN(C)CC1
InChIInChI=1S/C13H27N3O/c1-15(2)11-8-14-13(17)5-4-12-6-9-16(3)10-7-12/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeyMRTDDUKNUBOZLH-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.79
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide

N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide (PubChem CID 20719712) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide
PubChem CID20719712
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide
SMILESCN(C)CCNC(=O)CCC1CCN(C)CC1
InChIInChI=1S/C13H27N3O/c1-15(2)11-8-14-13(17)5-4-12-6-9-16(3)10-7-12/h12H,4-11H2,1-3H3,(H,14,17)
InChIKeyMRTDDUKNUBOZLH-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-[2-(dimethylamino)ethyl]-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide
CID 42456808
3-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515725
N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110849594
3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515771
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperidin-3-ylpropanamide
CID 114515740
N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
CID 25481539
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 113267480
4-amino-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentanamide
CID 115740935
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865945
N-[2-(dimethylamino)ethyl]-3-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-4-yl]propanamide
CID 42286373
N-[2-(dimethylamino)ethyl]-3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-4-yl]propanamide
CID 25276266
2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid
CID 110837588

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide (CID 20719712) is N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide is CN(C)CCNC(=O)CCC1CCN(C)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is MRTDDUKNUBOZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15(2)11-8-14-13(17)5-4-12-6-9-16(3)10-7-12/h12H,4-11H2,1-3H3,(H,14,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide?
N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-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-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 20719712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).