N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide

C14H27N3O2 — CID 108520549

IUPACN-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CC(C)CN(C(=O)C(=O)NCCCN(C)C)C1
InChIInChI=1S/C14H27N3O2/c1-11-8-12(2)10-17(9-11)14(19)13(18)15-6-5-7-16(3)4/h11-12H,5-10H2,1-4H3,(H,15,18)
InChIKeySVMUVJPVUANCSJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.56
Rot. Bonds4

About N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide

N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108520549) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108520549
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CC(C)CN(C(=O)C(=O)NCCCN(C)C)C1
InChIInChI=1S/C14H27N3O2/c1-11-8-12(2)10-17(9-11)14(19)13(18)15-6-5-7-16(3)4/h11-12H,5-10H2,1-4H3,(H,15,18)
InChIKeySVMUVJPVUANCSJ-UHFFFAOYSA-N
XLogP0.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cyclo(glycyl-L-leucyl)
CID 927723
Cyclo(L-leucyl-L-leucyl)
CID 192731
Cyclo(leucylglycine)
CID 2902
Cyclo(alanyl-leucyl)
CID 13879946
(3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione
CID 25220884
3-Isobutyl-6-methyl-2,5-piperazinedione
CID 3634567
N-(2-(dimethylamino)ethyl)-2-oxopiperidine-3-carboxamide
CID 3623770
(6S)-6-(4-aminobutyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 23640882
1-[[1-(3-Methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281028
(6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione
CID 53299358
2,3-Piperazinedione, 1-octyl-
CID 3042435
2-(4-aminopiperidin-1-yl)-N-methylacetamide
CID 18071178

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide (CID 108520549) is N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide is CC1CC(C)CN(C(=O)C(=O)NCCCN(C)C)C1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is SVMUVJPVUANCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11-8-12(2)10-17(9-11)14(19)13(18)15-6-5-7-16(3)4/h11-12H,5-10H2,1-4H3,(H,15,18).
What are the key properties of N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 269.39 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108520549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).