ethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate

C13H26N2O2 — CID 79538171

IUPACethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate
SMILESCCOC(=O)CCNC(C)CC1CCCCN1
InChIInChI=1S/C13H26N2O2/c1-3-17-13(16)7-9-14-11(2)10-12-6-4-5-8-15-12/h11-12,14-15H,3-10H2,1-2H3
InChIKeyGDQHFSQXSMLKJL-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.45
Rot. Bonds7

About ethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate

ethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate (PubChem CID 79538171) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate
PubChem CID79538171
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate
SMILESCCOC(=O)CCNC(C)CC1CCCCN1
InChIInChI=1S/C13H26N2O2/c1-3-17-13(16)7-9-14-11(2)10-12-6-4-5-8-15-12/h11-12,14-15H,3-10H2,1-2H3
InChIKeyGDQHFSQXSMLKJL-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[1-(azepan-2-yl)propan-2-ylamino]propanoate
CID 79560294
3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
CID 79541025
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
CID 106840824
N'-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79540795
5-(1-piperidin-2-ylpropan-2-ylamino)pentan-1-ol
CID 107316724
N-(3-ethoxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541660
3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide
CID 106274610
1-(azepan-2-yl)-N-(2-butoxyethyl)propan-2-amine
CID 79560725
ethyl 4-(3-piperidin-2-ylpropanoylamino)butanoate
CID 64576385
2-(1-piperidin-2-ylpropan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 113405923
1-(azepan-2-yl)-N-(2-methylsulfonylethyl)propan-2-amine
CID 79560223
N-(cyclobutylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79549693

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate?
The IUPAC name of ethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate (CID 79538171) is ethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate.
What is the SMILES notation for ethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate?
The canonical SMILES for ethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate is CCOC(=O)CCNC(C)CC1CCCCN1.
What is the InChIKey of ethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate?
The InChIKey is GDQHFSQXSMLKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-17-13(16)7-9-14-11(2)10-12-6-4-5-8-15-12/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of ethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate?
ethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate has a molecular weight of 242.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-piperidin-2-ylpropan-2-ylamino)propanoate is sourced from PubChem (CID 79538171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).