(2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide

C17H25ClN2O3 — CID 97436050

IUPAC(2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide
SMILESCOC[C@H]1CCCCN1C(=O)Nc1cccc(Cl)c1OC(C)C
InChIInChI=1S/C17H25ClN2O3/c1-12(2)23-16-14(18)8-6-9-15(16)19-17(21)20-10-5-4-7-13(20)11-22-3/h6,8-9,12-13H,4-5,7,10-11H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyITJSAKXQLVLIRP-CYBMUJFWSA-N
MW340.85 g/mol
LogP4.16
Rot. Bonds5

About (2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide

(2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide (PubChem CID 97436050) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is (2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide
PubChem CID97436050
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name(2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide
SMILESCOC[C@H]1CCCCN1C(=O)Nc1cccc(Cl)c1OC(C)C
InChIInChI=1S/C17H25ClN2O3/c1-12(2)23-16-14(18)8-6-9-15(16)19-17(21)20-10-5-4-7-13(20)11-22-3/h6,8-9,12-13H,4-5,7,10-11H2,1-3H3,(H,19,21)/t13-/m1/s1
InChIKeyITJSAKXQLVLIRP-CYBMUJFWSA-N
XLogP4.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(1H-indazol-4-yl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 72886878
2-ethyl-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 108990892
(2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 72929137
(3R)-N-(3-chloro-2-propan-2-yloxyphenyl)-3-(sulfamoylmethyl)piperidine-1-carboxamide
CID 97257435
methyl 2-chloro-6-[[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 126816599
N-(3-chloro-2-propan-2-yloxyphenyl)-3-(2,5-dihydropyrrol-1-yl)pyrrolidine-1-carboxamide
CID 71870273
2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 72887597
(2S)-2-(methoxymethyl)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 97277081
N-(2,6-dichlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990919
2-(2-hydroxyethyl)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4097803
(2R)-2-ethyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 51944426
1-[(3-chloro-2-propan-2-yloxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122085016

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide (CID 97436050) is (2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide is COC[C@H]1CCCCN1C(=O)Nc1cccc(Cl)c1OC(C)C.
What is the InChIKey of (2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide?
The InChIKey is ITJSAKXQLVLIRP-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-12(2)23-16-14(18)8-6-9-15(16)19-17(21)20-10-5-4-7-13(20)11-22-3/h6,8-9,12-13H,4-5,7,10-11H2,1-3H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide?
(2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide has a molecular weight of 340.85 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-2-propan-2-yloxyphenyl)-2-(methoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97436050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).