(2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide

C17H24ClFN2O2 — CID 97279136

IUPAC(2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide
SMILESCOCCC[C@H]1CCCCN1C(=O)Nc1cc(C)c(F)cc1Cl
InChIInChI=1S/C17H24ClFN2O2/c1-12-10-16(14(18)11-15(12)19)20-17(22)21-8-4-3-6-13(21)7-5-9-23-2/h10-11,13H,3-9H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyQMBBXEIMMKKYQW-CYBMUJFWSA-N
MW342.84 g/mol
LogP4.60
Rot. Bonds5

About (2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide

(2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide (PubChem CID 97279136) has the molecular formula C17H24ClFN2O2 and a molecular weight of 342.84 g/mol. Its IUPAC name is (2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide
PubChem CID97279136
Molecular FormulaC17H24ClFN2O2
Molecular Weight342.84 g/mol
Exact Mass342.15
IUPAC Name(2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide
SMILESCOCCC[C@H]1CCCCN1C(=O)Nc1cc(C)c(F)cc1Cl
InChIInChI=1S/C17H24ClFN2O2/c1-12-10-16(14(18)11-15(12)19)20-17(22)21-8-4-3-6-13(21)7-5-9-23-2/h10-11,13H,3-9H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyQMBBXEIMMKKYQW-CYBMUJFWSA-N
XLogP4.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.84
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96575750
(3R)-N-(2-chloro-4-fluoro-5-methylphenyl)-3-(hydroxymethyl)morpholine-4-carboxamide
CID 125169396
N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990888
(2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide
CID 126423565
(2S)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
CID 97444960
(2-chloro-5-fluoro-4-methylphenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 117044959
(2S)-N-(2,4-dichloro-3-methylphenyl)-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 72929137
(2S)-N-(5-chloro-2-propoxyphenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 97027964
2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)piperidine-1-carboxamide
CID 118763336
(2S)-2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-1-carboxamide
CID 125435903
3-[1-(2-chloro-5-fluoro-4-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 117044948
(2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
CID 126430817

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide (CID 97279136) is (2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide is COCCC[C@H]1CCCCN1C(=O)Nc1cc(C)c(F)cc1Cl.
What is the InChIKey of (2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide?
The InChIKey is QMBBXEIMMKKYQW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24ClFN2O2/c1-12-10-16(14(18)11-15(12)19)20-17(22)21-8-4-3-6-13(21)7-5-9-23-2/h10-11,13H,3-9H2,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide?
(2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide has a molecular weight of 342.84 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloro-4-fluoro-5-methylphenyl)-2-(3-methoxypropyl)piperidine-1-carboxamide is sourced from PubChem (CID 97279136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).