1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylic acid;hydron;chloride

C10H18ClNO4 — CID 70072018

IUPAC1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylic acid;hydron;chloride
SMILESCCOC(=O)CN1CCC(C(=O)O)CC1.[Cl-].[H+]
InChIInChI=1S/C10H17NO4.ClH/c1-2-15-9(12)7-11-5-3-8(4-6-11)10(13)14;/h8H,2-7H2,1H3,(H,13,14);1H
InChIKeyZDPOAKJEBHLCOE-UHFFFAOYSA-N
MW251.71 g/mol
LogP-2.54
Rot. Bonds4

About 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylic acid;hydron;chloride

1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylic acid;hydron;chloride (PubChem CID 70072018) has the molecular formula C10H18ClNO4 and a molecular weight of 251.71 g/mol. Its IUPAC name is 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylic acid;hydron;chloride.

Molecular Properties

Compound Name1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylic acid;hydron;chloride
PubChem CID70072018
Molecular FormulaC10H18ClNO4
Molecular Weight251.71 g/mol
Exact Mass251.09
IUPAC Name1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylic acid;hydron;chloride
SMILESCCOC(=O)CN1CCC(C(=O)O)CC1.[Cl-].[H+]
InChIInChI=1S/C10H17NO4.ClH/c1-2-15-9(12)7-11-5-3-8(4-6-11)10(13)14;/h8H,2-7H2,1H3,(H,13,14);1H
InChIKeyZDPOAKJEBHLCOE-UHFFFAOYSA-N
XLogP-2.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 5-2.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate
CID 74605
2-(4-(Ethoxycarbonyl)piperidin-1-yl)acetic acid
CID 52903749
Methyl 4-carbethoxy-1-piperidineacetate
CID 260383
1-(Carboxymethyl)piperidine-4-carboxylic acid
CID 1207788
Piperidinium, 4-carboxy-1,1-dimethyl-, chloride, 2-(diethylamino)ethyl ester, hydrochloride
CID 24842825
1-[2-(Tert-butoxy)-2-oxoethyl]piperidine-4-carboxylic acid
CID 18404616
Methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate
CID 43509539
1-(2-Methoxyethyl)piperidine-4-carboxylic acid hydrochloride
CID 45075032
Methyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
CID 296033
2-Diethylaminoethyl 1-methylpiperidine-4-carboxylate
CID 515605
[4-(Ethoxycarbonyl)piperidin-1-yl]acetic acid hydrochloride
CID 71778948
3-[4-(Ethoxycarbonyl)piperidin-1-yl]propanoic acid hydrochloride
CID 71779234

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylic acid;hydron;chloride?
The IUPAC name of 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylic acid;hydron;chloride (CID 70072018) is 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylic acid;hydron;chloride.
What is the SMILES notation for 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylic acid;hydron;chloride?
The canonical SMILES for 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylic acid;hydron;chloride is CCOC(=O)CN1CCC(C(=O)O)CC1.[Cl-].[H+].
What is the InChIKey of 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylic acid;hydron;chloride?
The InChIKey is ZDPOAKJEBHLCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4.ClH/c1-2-15-9(12)7-11-5-3-8(4-6-11)10(13)14;/h8H,2-7H2,1H3,(H,13,14);1H.
What are the key properties of 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylic acid;hydron;chloride?
1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylic acid;hydron;chloride has a molecular weight of 251.71 g/mol, XLogP of -2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylic acid;hydron;chloride is sourced from PubChem (CID 70072018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).