ethyl 3-(piperidin-4-ylamino)propanoate

C10H20N2O2 — CID 54221594

IUPACethyl 3-(piperidin-4-ylamino)propanoate
SMILESCCOC(=O)CCNC1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-2-14-10(13)5-8-12-9-3-6-11-7-4-9/h9,11-12H,2-8H2,1H3
InChIKeyZDXBDTSZKZZBNL-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.28
Rot. Bonds5

About ethyl 3-(piperidin-4-ylamino)propanoate

ethyl 3-(piperidin-4-ylamino)propanoate (PubChem CID 54221594) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 3-(piperidin-4-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(piperidin-4-ylamino)propanoate
PubChem CID54221594
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethyl 3-(piperidin-4-ylamino)propanoate
SMILESCCOC(=O)CCNC1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-2-14-10(13)5-8-12-9-3-6-11-7-4-9/h9,11-12H,2-8H2,1H3
InChIKeyZDXBDTSZKZZBNL-UHFFFAOYSA-N
XLogP0.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-(cyclohexylamino)propanoate
CID 243063
Methyl 3-((oxan-4-yl)amino)propanoate
CID 43608622
Methyl 3-(4-aminopiperidin-1-yl)propanoate dihydrochloride
CID 57436991
Methyl 2,2-dimethyl-3-[(piperidin-4-yl)amino]propanoate
CID 139022432
4-Piperidinyl propanoate hydrochloride
CID 53410141
Methyl 3-(4-aminopiperidin-1-yl)propanoate
CID 18969347
Ethyl 2-fluoro-3-oxo-3-(piperidin-4-ylamino)propanoate
CID 86035299
Ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate;dihydrochloride
CID 153362096
Ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate
CID 153362097
Methyl 1-(piperidin-4-yl)azetidine-3-carboxylate
CID 156620432
Ethyl 3-(cyclohexylamino)butanoate
CID 242424
Methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate
CID 43774757

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(piperidin-4-ylamino)propanoate?
The IUPAC name of ethyl 3-(piperidin-4-ylamino)propanoate (CID 54221594) is ethyl 3-(piperidin-4-ylamino)propanoate.
What is the SMILES notation for ethyl 3-(piperidin-4-ylamino)propanoate?
The canonical SMILES for ethyl 3-(piperidin-4-ylamino)propanoate is CCOC(=O)CCNC1CCNCC1.
What is the InChIKey of ethyl 3-(piperidin-4-ylamino)propanoate?
The InChIKey is ZDXBDTSZKZZBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-14-10(13)5-8-12-9-3-6-11-7-4-9/h9,11-12H,2-8H2,1H3.
What are the key properties of ethyl 3-(piperidin-4-ylamino)propanoate?
ethyl 3-(piperidin-4-ylamino)propanoate has a molecular weight of 200.28 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(piperidin-4-ylamino)propanoate is sourced from PubChem (CID 54221594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).