(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide

C14H20N2O2 — CID 58563871

IUPAC(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide
SMILESO=C(NCCOc1ccccc1)[C@@H]1CCCCN1
InChIInChI=1S/C14H20N2O2/c17-14(13-8-4-5-9-15-13)16-10-11-18-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17)/t13-/m0/s1
InChIKeyDVZLGANMVSDRSB-ZDUSSCGKSA-N
MW248.33 g/mol
LogP1.32
Rot. Bonds5

About (2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide

(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide (PubChem CID 58563871) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide
PubChem CID58563871
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide
SMILESO=C(NCCOc1ccccc1)[C@@H]1CCCCN1
InChIInChI=1S/C14H20N2O2/c17-14(13-8-4-5-9-15-13)16-10-11-18-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17)/t13-/m0/s1
InChIKeyDVZLGANMVSDRSB-ZDUSSCGKSA-N
XLogP1.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 55017247
N-(2-phenoxyethyl)azepane-2-carboxamide
CID 64562494
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134
N-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxamide
CID 119266821
N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119295688
N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide
CID 119308262
N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119295995
N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119266831
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide
CID 110481245
2-phenoxyethyl (2R)-piperidine-2-carboxylate
CID 79034822

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide (CID 58563871) is (2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide is O=C(NCCOc1ccccc1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide?
The InChIKey is DVZLGANMVSDRSB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-14(13-8-4-5-9-15-13)16-10-11-18-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide?
(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide is sourced from PubChem (CID 58563871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).