2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide

C13H27N3O — CID 63848807

IUPAC2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCCC(CNCC)C1
InChIInChI=1S/C13H27N3O/c1-3-7-15-13(17)11-16-8-5-6-12(10-16)9-14-4-2/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyYFNYNVOPHLJDQN-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds7

About 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide

2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide (PubChem CID 63848807) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide
PubChem CID63848807
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCCC(CNCC)C1
InChIInChI=1S/C13H27N3O/c1-3-7-15-13(17)11-16-8-5-6-12(10-16)9-14-4-2/h12,14H,3-11H2,1-2H3,(H,15,17)
InChIKeyYFNYNVOPHLJDQN-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(ethylaminomethyl)piperidin-1-yl]-N-methylacetamide
CID 63849498
N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63849503
N-ethyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60645129
N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847249
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 63849542
N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904
N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847877
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide
CID 63849842
N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine
CID 63847588
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide
CID 62659462
(3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94378672
N-(2-ethoxyethyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 111974917

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide (CID 63848807) is 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCCC(CNCC)C1.
What is the InChIKey of 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide?
The InChIKey is YFNYNVOPHLJDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-7-15-13(17)11-16-8-5-6-12(10-16)9-14-4-2/h12,14H,3-11H2,1-2H3,(H,15,17).
What are the key properties of 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide?
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 63848807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).