3-[(1R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl]piperidine-1-carboxylic acid

C18H24ClNO5 — CID 69266957

IUPAC3-[(1R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl]piperidine-1-carboxylic acid
SMILESCCOC(=O)CO[C@@](C)(c1cccc(Cl)c1)C1CCCN(C(=O)O)C1
InChIInChI=1S/C18H24ClNO5/c1-3-24-16(21)12-25-18(2,13-6-4-8-15(19)10-13)14-7-5-9-20(11-14)17(22)23/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3,(H,22,23)/t14?,18-/m0/s1
InChIKeyBRIVEODJRDKNSB-IBYPIGCZSA-N
MW369.85 g/mol
LogP3.52
Rot. Bonds6

About 3-[(1R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl]piperidine-1-carboxylic acid

3-[(1R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl]piperidine-1-carboxylic acid (PubChem CID 69266957) has the molecular formula C18H24ClNO5 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-[(1R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl]piperidine-1-carboxylic acid
PubChem CID69266957
Molecular FormulaC18H24ClNO5
Molecular Weight369.85 g/mol
Exact Mass369.13
IUPAC Name3-[(1R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl]piperidine-1-carboxylic acid
SMILESCCOC(=O)CO[C@@](C)(c1cccc(Cl)c1)C1CCCN(C(=O)O)C1
InChIInChI=1S/C18H24ClNO5/c1-3-24-16(21)12-25-18(2,13-6-4-8-15(19)10-13)14-7-5-9-20(11-14)17(22)23/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3,(H,22,23)/t14?,18-/m0/s1
InChIKeyBRIVEODJRDKNSB-IBYPIGCZSA-N
XLogP3.52
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[1-(2-aminoethoxy)-1-(3-chlorophenyl)ethyl]piperidine-1-carboxylate
CID 72529637
[(2R)-2-[[(3R)-3-[(1R)-1-(3-chlorophenyl)-1-[2-(methylamino)-2-oxoethoxy]ethyl]piperidine-1-carbonyl]amino]-3-cyclohexylpropyl]-methylcarbamic acid
CID 68716800
tert-butyl 3-[(1R)-1-(3-chlorophenyl)-1-hydroxybutyl]piperidine-1-carboxylate
CID 68713595
ethyl 3-(3-chlorophenyl)-3-piperidin-1-ylbutanoate
CID 64540117
tert-butyl (3R)-3-[(1R)-1-(3-chlorophenyl)-1-hydroxypentyl]piperidine-1-carboxylate
CID 59201358
(3R)-3-[[2-(3-chloro-N-ethylanilino)-2-oxoethoxy]methyl]piperidine-1-carboxylic acid
CID 68713391
methyl N-[2-[(1R)-1-(3-chlorophenyl)-1-[(3R)-1-[[(2S)-1-(methylamino)-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]ethoxy]ethyl]carbamate
CID 59201602
tert-butyl (3R)-3-[(1R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-1-(3-chlorophenyl)butyl]piperidine-1-carboxylate
CID 59201612
tert-butyl 3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-1-(3-chlorophenyl)butyl]piperidine-1-carboxylate
CID 72529700
2-(3-chlorophenyl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one
CID 110436627
tert-butyl 3-[(1R)-1-(3-chlorophenyl)-1-hydroxy-2-(2-methoxyethoxy)ethyl]piperidine-1-carboxylate
CID 67188750
3-[(2,3-difluorophenyl)-(2-ethoxy-2-oxoethoxy)methyl]piperidine-1-carboxylic acid
CID 69264057

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[(1R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl]piperidine-1-carboxylic acid (CID 69266957) is 3-[(1R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[(1R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[(1R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl]piperidine-1-carboxylic acid is CCOC(=O)CO[C@@](C)(c1cccc(Cl)c1)C1CCCN(C(=O)O)C1.
What is the InChIKey of 3-[(1R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl]piperidine-1-carboxylic acid?
The InChIKey is BRIVEODJRDKNSB-IBYPIGCZSA-N. The full InChI is InChI=1S/C18H24ClNO5/c1-3-24-16(21)12-25-18(2,13-6-4-8-15(19)10-13)14-7-5-9-20(11-14)17(22)23/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3,(H,22,23)/t14?,18-/m0/s1.
What are the key properties of 3-[(1R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl]piperidine-1-carboxylic acid?
3-[(1R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl]piperidine-1-carboxylic acid has a molecular weight of 369.85 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(3-chlorophenyl)-1-(2-ethoxy-2-oxoethoxy)ethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69266957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).