1-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]piperidine-2-carboxamide

C16H22ClN3O3 — CID 60502116

IUPAC1-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1CC(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C16H22ClN3O3/c17-12-4-3-5-13(10-12)23-9-7-19-15(21)11-20-8-2-1-6-14(20)16(18)22/h3-5,10,14H,1-2,6-9,11H2,(H2,18,22)(H,19,21)
InChIKeyAPEXQEOGTOAPQW-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.17
Rot. Bonds7

About 1-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]piperidine-2-carboxamide

1-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]piperidine-2-carboxamide (PubChem CID 60502116) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 1-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]piperidine-2-carboxamide
PubChem CID60502116
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name1-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1CC(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C16H22ClN3O3/c17-12-4-3-5-13(10-12)23-9-7-19-15(21)11-20-8-2-1-6-14(20)16(18)22/h3-5,10,14H,1-2,6-9,11H2,(H2,18,22)(H,19,21)
InChIKeyAPEXQEOGTOAPQW-UHFFFAOYSA-N
XLogP1.17
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-2-(4-cyclohexyloxypiperidin-1-yl)acetamide
CID 86873849
1-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908573
N-[2-(3-chlorophenoxy)ethyl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 87013909
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60685168
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 86789165
1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
CID 21105013
(2S)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 167816033
N-[2-(3-chlorophenoxy)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 110896626
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide
CID 120771441
3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119734978
N-[2-(3-chlorophenoxy)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427995

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]piperidine-2-carboxamide (CID 60502116) is 1-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1CC(=O)NCCOc1cccc(Cl)c1.
What is the InChIKey of 1-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]piperidine-2-carboxamide?
The InChIKey is APEXQEOGTOAPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c17-12-4-3-5-13(10-12)23-9-7-19-15(21)11-20-8-2-1-6-14(20)16(18)22/h3-5,10,14H,1-2,6-9,11H2,(H2,18,22)(H,19,21).
What are the key properties of 1-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]piperidine-2-carboxamide?
1-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]piperidine-2-carboxamide has a molecular weight of 339.82 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]piperidine-2-carboxamide is sourced from PubChem (CID 60502116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).