(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide

C15H22N2O3 — CID 103808938

IUPAC(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
SMILESCCOc1cc(NC(=O)[C@@H]2CCCCN2)ccc1OC
InChIInChI=1S/C15H22N2O3/c1-3-20-14-10-11(7-8-13(14)19-2)17-15(18)12-6-4-5-9-16-12/h7-8,10,12,16H,3-6,9H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeySHPUJDMLIGATNL-LBPRGKRZSA-N
MW278.35 g/mol
LogP2.17
Rot. Bonds5

About (2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide

(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide (PubChem CID 103808938) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
PubChem CID103808938
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
SMILESCCOc1cc(NC(=O)[C@@H]2CCCCN2)ccc1OC
InChIInChI=1S/C15H22N2O3/c1-3-20-14-10-11(7-8-13(14)19-2)17-15(18)12-6-4-5-9-16-12/h7-8,10,12,16H,3-6,9H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeySHPUJDMLIGATNL-LBPRGKRZSA-N
XLogP2.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 43712591
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119717666
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
(2R)-N-(3-chloro-4-ethoxyphenyl)piperidine-2-carboxamide
CID 93359932
N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide
CID 64564595
(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 104900490
(2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide
CID 119679429
(2R)-N-(4-methoxy-3-methylphenyl)piperidine-2-carboxamide
CID 94222952
(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
CID 103808843
N-(4-chloro-3-methoxyphenyl)azepane-2-carboxamide
CID 107621689

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide (CID 103808938) is (2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide is CCOc1cc(NC(=O)[C@@H]2CCCCN2)ccc1OC.
What is the InChIKey of (2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide?
The InChIKey is SHPUJDMLIGATNL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-14-10-11(7-8-13(14)19-2)17-15(18)12-6-4-5-9-16-12/h7-8,10,12,16H,3-6,9H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide?
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 103808938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).