methyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate

C16H21ClN2O4 — CID 124594809

IUPACmethyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate
SMILESCOC(=O)[C@@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1
InChIInChI=1S/C16H21ClN2O4/c1-10(16(22)23-2)19-7-5-11(6-8-19)15(21)18-13-9-12(17)3-4-14(13)20/h3-4,9-11,20H,5-8H2,1-2H3,(H,18,21)/t10-/m1/s1
InChIKeyVTLYOVFQHTXDGX-SNVBAGLBSA-N
MW340.81 g/mol
LogP2.26
Rot. Bonds4

About methyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate

methyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate (PubChem CID 124594809) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is methyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate
PubChem CID124594809
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Namemethyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate
SMILESCOC(=O)[C@@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1
InChIInChI=1S/C16H21ClN2O4/c1-10(16(22)23-2)19-7-5-11(6-8-19)15(21)18-13-9-12(17)3-4-14(13)20/h3-4,9-11,20H,5-8H2,1-2H3,(H,18,21)/t10-/m1/s1
InChIKeyVTLYOVFQHTXDGX-SNVBAGLBSA-N
XLogP2.26
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-1-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 60511702
N-(5-chloro-2-hydroxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 2953828
N-(5-chloro-2-hydroxyphenyl)-1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxamide
CID 111113313
4-N-(5-chloro-2-hydroxyphenyl)-1-N-[(2S)-2-morpholin-4-ylpropyl]piperidine-1,4-dicarboxamide
CID 52510961
3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 56951740
N-(5-chloro-2-hydroxyphenyl)-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 52682709
N-(5-chloro-2-hydroxyphenyl)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-4-carboxamide
CID 71864229
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
N-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 154749753
N-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 47056452
N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489471
N-(2-hydroxyphenyl)-1-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489479

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate?
The IUPAC name of methyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate (CID 124594809) is methyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate is COC(=O)[C@@H](C)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1.
What is the InChIKey of methyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate?
The InChIKey is VTLYOVFQHTXDGX-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21ClN2O4/c1-10(16(22)23-2)19-7-5-11(6-8-19)15(21)18-13-9-12(17)3-4-14(13)20/h3-4,9-11,20H,5-8H2,1-2H3,(H,18,21)/t10-/m1/s1.
What are the key properties of methyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate?
methyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate has a molecular weight of 340.81 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate is sourced from PubChem (CID 124594809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).