(3R)-3-[[2-(3-chloro-N-ethylanilino)-2-oxoethoxy]methyl]piperidine-1-carboxylic acid

C17H23ClN2O4 — CID 68713391

IUPAC(3R)-3-[[2-(3-chloro-N-ethylanilino)-2-oxoethoxy]methyl]piperidine-1-carboxylic acid
SMILESCCN(C(=O)COC[C@@H]1CCCN(C(=O)O)C1)c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O4/c1-2-20(15-7-3-6-14(18)9-15)16(21)12-24-11-13-5-4-8-19(10-13)17(22)23/h3,6-7,9,13H,2,4-5,8,10-12H2,1H3,(H,22,23)/t13-/m1/s1
InChIKeyFAAOJUUTOVYLKL-CYBMUJFWSA-N
MW354.83 g/mol
LogP3.10
Rot. Bonds6

About (3R)-3-[[2-(3-chloro-N-ethylanilino)-2-oxoethoxy]methyl]piperidine-1-carboxylic acid

(3R)-3-[[2-(3-chloro-N-ethylanilino)-2-oxoethoxy]methyl]piperidine-1-carboxylic acid (PubChem CID 68713391) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is (3R)-3-[[2-(3-chloro-N-ethylanilino)-2-oxoethoxy]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[[2-(3-chloro-N-ethylanilino)-2-oxoethoxy]methyl]piperidine-1-carboxylic acid
PubChem CID68713391
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name(3R)-3-[[2-(3-chloro-N-ethylanilino)-2-oxoethoxy]methyl]piperidine-1-carboxylic acid
SMILESCCN(C(=O)COC[C@@H]1CCCN(C(=O)O)C1)c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O4/c1-2-20(15-7-3-6-14(18)9-15)16(21)12-24-11-13-5-4-8-19(10-13)17(22)23/h3,6-7,9,13H,2,4-5,8,10-12H2,1H3,(H,22,23)/t13-/m1/s1
InChIKeyFAAOJUUTOVYLKL-CYBMUJFWSA-N
XLogP3.10
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 96546479
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CID 69175008
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
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3-[(1R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl]piperidine-1-carboxylic acid
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3-[(3S)-3-(ethoxymethyl)piperidine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 95378591
2-(4-chlorophenyl)-2-cyclopropyl-1-[3-(ethoxymethyl)piperidin-1-yl]ethanone
CID 110617224
N-(3,5-dichlorophenyl)-N-ethyl-2-(1-methylpiperidin-4-yl)acetamide
CID 46179184
2-(3-chlorophenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 112977302
2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid
CID 96885372
1-(2-chlorophenyl)-4-[3-(ethoxymethyl)piperidin-1-yl]butane-1,4-dione
CID 110610376
N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505566

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-(3-chloro-N-ethylanilino)-2-oxoethoxy]methyl]piperidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[[2-(3-chloro-N-ethylanilino)-2-oxoethoxy]methyl]piperidine-1-carboxylic acid (CID 68713391) is (3R)-3-[[2-(3-chloro-N-ethylanilino)-2-oxoethoxy]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[[2-(3-chloro-N-ethylanilino)-2-oxoethoxy]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[[2-(3-chloro-N-ethylanilino)-2-oxoethoxy]methyl]piperidine-1-carboxylic acid is CCN(C(=O)COC[C@@H]1CCCN(C(=O)O)C1)c1cccc(Cl)c1.
What is the InChIKey of (3R)-3-[[2-(3-chloro-N-ethylanilino)-2-oxoethoxy]methyl]piperidine-1-carboxylic acid?
The InChIKey is FAAOJUUTOVYLKL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-2-20(15-7-3-6-14(18)9-15)16(21)12-24-11-13-5-4-8-19(10-13)17(22)23/h3,6-7,9,13H,2,4-5,8,10-12H2,1H3,(H,22,23)/t13-/m1/s1.
What are the key properties of (3R)-3-[[2-(3-chloro-N-ethylanilino)-2-oxoethoxy]methyl]piperidine-1-carboxylic acid?
(3R)-3-[[2-(3-chloro-N-ethylanilino)-2-oxoethoxy]methyl]piperidine-1-carboxylic acid has a molecular weight of 354.83 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-(3-chloro-N-ethylanilino)-2-oxoethoxy]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 68713391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).