ethyl 3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoate

C18H31N3O5 — CID 70180329

IUPACethyl 3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)[C@@H]1CCCN(C(=O)COC2CCNCC2)C1
InChIInChI=1S/C18H31N3O5/c1-2-25-17(23)7-10-20-18(24)14-4-3-11-21(12-14)16(22)13-26-15-5-8-19-9-6-15/h14-15,19H,2-13H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyQGAZFXGKRVKKMQ-CQSZACIVSA-N
MW369.46 g/mol
LogP0.06
Rot. Bonds8

About ethyl 3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoate

ethyl 3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoate (PubChem CID 70180329) has the molecular formula C18H31N3O5 and a molecular weight of 369.46 g/mol. Its IUPAC name is ethyl 3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoate
PubChem CID70180329
Molecular FormulaC18H31N3O5
Molecular Weight369.46 g/mol
Exact Mass369.23
IUPAC Nameethyl 3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)[C@@H]1CCCN(C(=O)COC2CCNCC2)C1
InChIInChI=1S/C18H31N3O5/c1-2-25-17(23)7-10-20-18(24)14-4-3-11-21(12-14)16(22)13-26-15-5-8-19-9-6-15/h14-15,19H,2-13H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyQGAZFXGKRVKKMQ-CQSZACIVSA-N
XLogP0.06
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoate with MolForge

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Related Compounds

3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoic acid;2,2,2-trifluoroacetic acid
CID 70110884
methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate
CID 60527593
butyl 3-[[(3R)-1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidine-3-carbonyl]amino]propanoate
CID 70092628
ethyl 3-[[(3R)-piperidine-3-carbonyl]amino]propanoate
CID 81141597
1-cyclohexyloxycarbonyloxyethyl 3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoate
CID 70110253
1-cyclohexyloxycarbonyloxyethyl 3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoate;hydrochloride
CID 70110252
N-ethyl-4-(2-piperidin-4-yloxyacetyl)piperazine-1-carboxamide
CID 63876904
ethyl 2-[2-[[3-(propylcarbamoyl)piperidine-1-carbonyl]amino]ethoxy]acetate
CID 138044979
(3R)-3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]pent-4-ynoic acid;2,2,2-trifluoroacetic acid
CID 158623549
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide
CID 94884745

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoate (CID 70180329) is ethyl 3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoate is CCOC(=O)CCNC(=O)[C@@H]1CCCN(C(=O)COC2CCNCC2)C1.
What is the InChIKey of ethyl 3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoate?
The InChIKey is QGAZFXGKRVKKMQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H31N3O5/c1-2-25-17(23)7-10-20-18(24)14-4-3-11-21(12-14)16(22)13-26-15-5-8-19-9-6-15/h14-15,19H,2-13H2,1H3,(H,20,24)/t14-/m1/s1.
What are the key properties of ethyl 3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoate?
ethyl 3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoate has a molecular weight of 369.46 g/mol, XLogP of 0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(3R)-1-(2-piperidin-4-yloxyacetyl)piperidine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 70180329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).