N-[2-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]ethyl]acetamide

C13H26N4O2 — CID 59893404

IUPACN-[2-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]ethyl]acetamide
SMILESCCN1CCC(CNC(=O)NCCNC(C)=O)CC1
InChIInChI=1S/C13H26N4O2/c1-3-17-8-4-12(5-9-17)10-16-13(19)15-7-6-14-11(2)18/h12H,3-10H2,1-2H3,(H,14,18)(H2,15,16,19)
InChIKeyHJHOJQDYCLPPKI-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.15
Rot. Bonds6

About N-[2-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]ethyl]acetamide

N-[2-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]ethyl]acetamide (PubChem CID 59893404) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]ethyl]acetamide
PubChem CID59893404
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-[2-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]ethyl]acetamide
SMILESCCN1CCC(CNC(=O)NCCNC(C)=O)CC1
InChIInChI=1S/C13H26N4O2/c1-3-17-8-4-12(5-9-17)10-16-13(19)15-7-6-14-11(2)18/h12H,3-10H2,1-2H3,(H,14,18)(H2,15,16,19)
InChIKeyHJHOJQDYCLPPKI-UHFFFAOYSA-N
XLogP0.15
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N~4~-isopropyl-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3235986
N~4~-(sec-butyl)-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3239385
N~1~,N~1~-dimethyl-N~4~-(3-methylbutyl)piperidine-1,4-dicarboxamide
CID 3243850
N-(cyclohexylmethyl)-3-oxopiperazine-1-carboxamide
CID 128036107
N-(3-methylbutyl)-3-oxopiperazine-1-carboxamide
CID 172433619
N-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 172434219
3,3-Dimethyl-1-((1-methylpiperidin-4-yl)methyl)urea
CID 112688391
N-butyl-4-methylpiperidine-1-carboxamide
CID 6467412
N1-((1-methylpiperidin-4-yl)methyl)-N2-propyloxalamide
CID 16886495
N-(tert-butyl)-4-((3-ethylureido)methyl)piperidine-1-carboxamide
CID 49688113
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
3-(1-Acetylpiperidin-4-YL)-N-ethylpyrrolidine-1-carboxamide
CID 91921317

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]ethyl]acetamide (CID 59893404) is N-[2-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]ethyl]acetamide is CCN1CCC(CNC(=O)NCCNC(C)=O)CC1.
What is the InChIKey of N-[2-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]ethyl]acetamide?
The InChIKey is HJHOJQDYCLPPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-3-17-8-4-12(5-9-17)10-16-13(19)15-7-6-14-11(2)18/h12H,3-10H2,1-2H3,(H,14,18)(H2,15,16,19).
What are the key properties of N-[2-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]ethyl]acetamide?
N-[2-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]ethyl]acetamide has a molecular weight of 270.38 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]ethyl]acetamide is sourced from PubChem (CID 59893404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).