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

C16H31N3O2 — CID 108520548

IUPACN-[3-(diethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCCN(CC)CCCNC(=O)C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C16H31N3O2/c1-5-18(6-2)9-7-8-17-15(20)16(21)19-11-13(3)10-14(4)12-19/h13-14H,5-12H2,1-4H3,(H,17,20)
InChIKeyDHRUMZLVQDVTKD-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.34
Rot. Bonds6

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

N-[3-(diethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108520548) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108520548
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-[3-(diethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCCN(CC)CCCNC(=O)C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C16H31N3O2/c1-5-18(6-2)9-7-8-17-15(20)16(21)19-11-13(3)10-14(4)12-19/h13-14H,5-12H2,1-4H3,(H,17,20)
InChIKeyDHRUMZLVQDVTKD-UHFFFAOYSA-N
XLogP1.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.34
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(L-leucyl-L-leucyl)
CID 192731
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
1-[[1-(3-Methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281028
3-Carbamoyl-N-dodecyl-1-piperidineacetamide
CID 4180284
1-[[1-(Cyclopentylmethyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281022
1-[[1-(2-Ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281026
(6S)-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359787
(2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
CID 57341082
(2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)-ethylamino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
CID 57341083
2-[[(3S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide
CID 57341633

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide (CID 108520548) is N-[3-(diethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide is CCN(CC)CCCNC(=O)C(=O)N1CC(C)CC(C)C1.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is DHRUMZLVQDVTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-5-18(6-2)9-7-8-17-15(20)16(21)19-11-13(3)10-14(4)12-19/h13-14H,5-12H2,1-4H3,(H,17,20).
What are the key properties of N-[3-(diethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
N-[3-(diethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 297.44 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108520548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).