benzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate

C23H36N2O4 — CID 161163924

IUPACbenzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate
SMILESCCOC(=O)C(C)N1CCCCC1.O=C(CN1CCCC1)OCc1ccccc1
InChIInChI=1S/C13H17NO2.C10H19NO2/c15-13(10-14-8-4-5-9-14)16-11-12-6-2-1-3-7-12;1-3-13-10(12)9(2)11-7-5-4-6-8-11/h1-3,6-7H,4-5,8-11H2;9H,3-8H2,1-2H3
InChIKeyUQGWEDMSVKLMIE-UHFFFAOYSA-N
MW404.55 g/mol
LogP3.25
Rot. Bonds7

About benzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate

benzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate (PubChem CID 161163924) has the molecular formula C23H36N2O4 and a molecular weight of 404.55 g/mol. Its IUPAC name is benzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate.

Molecular Properties

Compound Namebenzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate
PubChem CID161163924
Molecular FormulaC23H36N2O4
Molecular Weight404.55 g/mol
Exact Mass404.27
IUPAC Namebenzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate
SMILESCCOC(=O)C(C)N1CCCCC1.O=C(CN1CCCC1)OCc1ccccc1
InChIInChI=1S/C13H17NO2.C10H19NO2/c15-13(10-14-8-4-5-9-14)16-11-12-6-2-1-3-7-12;1-3-13-10(12)9(2)11-7-5-4-6-8-11/h1-3,6-7H,4-5,8-11H2;9H,3-8H2,1-2H3
InChIKeyUQGWEDMSVKLMIE-UHFFFAOYSA-N
XLogP3.25
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-(azetidin-1-yl)acetate
CID 140980014
benzyl 2-[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]acetate
CID 101385594
ethyl 2-piperidin-1-ylpropanoate;methanamine
CID 143433031
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
benzyl 2-(4-oxopiperidin-1-yl)propanoate
CID 82342726
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 2-(azocan-1-yl)acetate
CID 25219274
(2S)-2-[[1-(2-oxo-2-phenylmethoxyethyl)azocan-3-yl]amino]-4-phenylbutanoic acid
CID 70477893
2-[4-(2-oxo-2-phenylmethoxyethyl)-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 121480439
4-ethyl-1-(2-oxo-2-phenylmethoxyethyl)-2,5-dihydropyrrole-3-carboxylic acid
CID 134213167
ethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate
CID 95139916
benzyl 2-[4-(2-methylperoxyethyl)-7,10-dipropyl-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 22971865

Frequently Asked Questions

What is the IUPAC name of benzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate?
The IUPAC name of benzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate (CID 161163924) is benzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate.
What is the SMILES notation for benzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate?
The canonical SMILES for benzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate is CCOC(=O)C(C)N1CCCCC1.O=C(CN1CCCC1)OCc1ccccc1.
What is the InChIKey of benzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate?
The InChIKey is UQGWEDMSVKLMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.C10H19NO2/c15-13(10-14-8-4-5-9-14)16-11-12-6-2-1-3-7-12;1-3-13-10(12)9(2)11-7-5-4-6-8-11/h1-3,6-7H,4-5,8-11H2;9H,3-8H2,1-2H3.
What are the key properties of benzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate?
benzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate has a molecular weight of 404.55 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-pyrrolidin-1-ylacetate;ethyl 2-piperidin-1-ylpropanoate is sourced from PubChem (CID 161163924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).