N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride

C14H20Cl2N2O2 — CID 119295688

IUPACN-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCOc1cccc(Cl)c1)C1CCCCN1
InChIInChI=1S/C14H19ClN2O2.ClH/c15-11-4-3-5-12(10-11)19-9-8-17-14(18)13-6-1-2-7-16-13;/h3-5,10,13,16H,1-2,6-9H2,(H,17,18);1H
InChIKeyRYFUVQDSSHFJCW-UHFFFAOYSA-N
MW319.23 g/mol
LogP2.40
Rot. Bonds5

About N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride

N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119295688) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119295688
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCOc1cccc(Cl)c1)C1CCCCN1
InChIInChI=1S/C14H19ClN2O2.ClH/c15-11-4-3-5-12(10-11)19-9-8-17-14(18)13-6-1-2-7-16-13;/h3-5,10,13,16H,1-2,6-9H2,(H,17,18);1H
InChIKeyRYFUVQDSSHFJCW-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 52.40
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

(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 58563871
N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 55017247
N-(2-phenoxyethyl)azepane-2-carboxamide
CID 64562494
N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 61276083
N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide
CID 119336972
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134
N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119295995
N-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxamide
CID 119266821
N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119336985
(2R)-N-[2-[3-(5-methyl-1H-pyrazol-4-yl)phenoxy]ethyl]piperidine-2-carboxamide
CID 173044805
N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119284494
(2S)-N-[(3-ethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119714472

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride (CID 119295688) is N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride is Cl.O=C(NCCOc1cccc(Cl)c1)C1CCCCN1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is RYFUVQDSSHFJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2.ClH/c15-11-4-3-5-12(10-11)19-9-8-17-14(18)13-6-1-2-7-16-13;/h3-5,10,13,16H,1-2,6-9H2,(H,17,18);1H.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride?
N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 319.23 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119295688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).