(2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide

C15H20Cl2N2O2 — CID 97062239

IUPAC(2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCCN1CCOc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H20Cl2N2O2/c1-18-15(20)14-4-2-3-5-19(14)6-7-21-13-9-11(16)8-12(17)10-13/h8-10,14H,2-7H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyAAPHSDMFUZYGQE-AWEZNQCLSA-N
MW331.24 g/mol
LogP2.97
Rot. Bonds5

About (2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide

(2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide (PubChem CID 97062239) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is (2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide
PubChem CID97062239
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name(2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCCN1CCOc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H20Cl2N2O2/c1-18-15(20)14-4-2-3-5-19(14)6-7-21-13-9-11(16)8-12(17)10-13/h8-10,14H,2-7H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyAAPHSDMFUZYGQE-AWEZNQCLSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-hydroxyethoxy)ethyl]-N-methylpiperidine-2-carboxamide
CID 111439529
(2S)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 167816033
1-[2-[4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]phenoxy]ethyl]-N-methylpiperidine-2-carboxamide
CID 176973048
methyl 1-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxylate
CID 115279155
1-but-3-ynyl-N-methylpiperidine-2-carboxamide
CID 63656435
1-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]-N-methylpiperidine-2-carboxamide
CID 91833046
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
N-methyl-1-[[3-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 91840346
(2R)-1-[(4-methoxy-2-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
CID 124750616
(2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 99928674
1-[2-(3-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 43441222
(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049136

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide (CID 97062239) is (2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide is CNC(=O)[C@@H]1CCCCN1CCOc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is AAPHSDMFUZYGQE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-18-15(20)14-4-2-3-5-19(14)6-7-21-13-9-11(16)8-12(17)10-13/h8-10,14H,2-7H2,1H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide?
(2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 331.24 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 97062239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).