ethyl 2-[4-(2-benzyl-1,3-dioxole-4-carbonyl)piperidin-1-yl]acetate

C20H25NO5 — CID 71227511

IUPACethyl 2-[4-(2-benzyl-1,3-dioxole-4-carbonyl)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(C(=O)C2=COC(Cc3ccccc3)O2)CC1
InChIInChI=1S/C20H25NO5/c1-2-24-18(22)13-21-10-8-16(9-11-21)20(23)17-14-25-19(26-17)12-15-6-4-3-5-7-15/h3-7,14,16,19H,2,8-13H2,1H3
InChIKeyHJRMHVNNQRWRIA-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.29
Rot. Bonds7

About ethyl 2-[4-(2-benzyl-1,3-dioxole-4-carbonyl)piperidin-1-yl]acetate

ethyl 2-[4-(2-benzyl-1,3-dioxole-4-carbonyl)piperidin-1-yl]acetate (PubChem CID 71227511) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is ethyl 2-[4-(2-benzyl-1,3-dioxole-4-carbonyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-benzyl-1,3-dioxole-4-carbonyl)piperidin-1-yl]acetate
PubChem CID71227511
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Nameethyl 2-[4-(2-benzyl-1,3-dioxole-4-carbonyl)piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(C(=O)C2=COC(Cc3ccccc3)O2)CC1
InChIInChI=1S/C20H25NO5/c1-2-24-18(22)13-21-10-8-16(9-11-21)20(23)17-14-25-19(26-17)12-15-6-4-3-5-7-15/h3-7,14,16,19H,2,8-13H2,1H3
InChIKeyHJRMHVNNQRWRIA-UHFFFAOYSA-N
XLogP2.29
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-benzyl-1,3-dioxol-4-yl)-2-oxoacetate
CID 69342043
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 2-[4-(3,4-dihydroxybenzoyl)piperidin-1-yl]acetate
CID 71236046
ethyl 2-[4-(4-methoxy-3-methylbenzoyl)piperidin-1-yl]acetate
CID 71226501
benzyl 4-[[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 176761023
ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
ethyl 2-(4-tritylpiperazin-1-yl)acetate
CID 10158732
ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate
CID 11277813
ethyl 2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]acetate;ethyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate;dihydrate
CID 159626806
ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate
CID 757381
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
ethyl 2-(azocan-1-yl)acetate
CID 25219274

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-benzyl-1,3-dioxole-4-carbonyl)piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(2-benzyl-1,3-dioxole-4-carbonyl)piperidin-1-yl]acetate (CID 71227511) is ethyl 2-[4-(2-benzyl-1,3-dioxole-4-carbonyl)piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(2-benzyl-1,3-dioxole-4-carbonyl)piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(2-benzyl-1,3-dioxole-4-carbonyl)piperidin-1-yl]acetate is CCOC(=O)CN1CCC(C(=O)C2=COC(Cc3ccccc3)O2)CC1.
What is the InChIKey of ethyl 2-[4-(2-benzyl-1,3-dioxole-4-carbonyl)piperidin-1-yl]acetate?
The InChIKey is HJRMHVNNQRWRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-2-24-18(22)13-21-10-8-16(9-11-21)20(23)17-14-25-19(26-17)12-15-6-4-3-5-7-15/h3-7,14,16,19H,2,8-13H2,1H3.
What are the key properties of ethyl 2-[4-(2-benzyl-1,3-dioxole-4-carbonyl)piperidin-1-yl]acetate?
ethyl 2-[4-(2-benzyl-1,3-dioxole-4-carbonyl)piperidin-1-yl]acetate has a molecular weight of 359.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-benzyl-1,3-dioxole-4-carbonyl)piperidin-1-yl]acetate is sourced from PubChem (CID 71227511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).