(3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid

C20H20ClNO4 — CID 119173769

IUPAC(3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C20H20ClNO4/c21-17-8-6-14(7-9-17)13-26-18-5-1-3-15(11-18)19(23)22-10-2-4-16(12-22)20(24)25/h1,3,5-9,11,16H,2,4,10,12-13H2,(H,24,25)/t16-/m0/s1
InChIKeyJLACSWDFVHVDDZ-INIZCTEOSA-N
MW373.84 g/mol
LogP3.86
Rot. Bonds5

About (3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid

(3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid (PubChem CID 119173769) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is (3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid
PubChem CID119173769
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name(3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C20H20ClNO4/c21-17-8-6-14(7-9-17)13-26-18-5-1-3-15(11-18)19(23)22-10-2-4-16(12-22)20(24)25/h1,3,5-9,11,16H,2,4,10,12-13H2,(H,24,25)/t16-/m0/s1
InChIKeyJLACSWDFVHVDDZ-INIZCTEOSA-N
XLogP3.86
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
CID 54794301
(3R)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperidine-3-carboxylic acid
CID 124574822
(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125135118
[3-[(4-chlorophenyl)methoxy]phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647252
[3-[[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 92900752
(3S)-1-[3-(thiophen-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 124703583
2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]acetamide
CID 155968088
1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid
CID 119167810
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
(3S)-1-(3-aminobenzoyl)piperidine-3-carboxylic acid
CID 81125780
1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 119354683
azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 100749219

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid (CID 119173769) is (3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)C1.
What is the InChIKey of (3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid?
The InChIKey is JLACSWDFVHVDDZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20ClNO4/c21-17-8-6-14(7-9-17)13-26-18-5-1-3-15(11-18)19(23)22-10-2-4-16(12-22)20(24)25/h1,3,5-9,11,16H,2,4,10,12-13H2,(H,24,25)/t16-/m0/s1.
What are the key properties of (3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid?
(3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid has a molecular weight of 373.84 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-[(4-chlorophenyl)methoxy]benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119173769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).