N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide

C16H23ClN2O3 — CID 111437978

IUPACN-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NCCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O3/c1-12(20)13-6-9-19(10-7-13)16(21)18-8-11-22-15-4-2-14(17)3-5-15/h2-5,12-13,20H,6-11H2,1H3,(H,18,21)
InChIKeyTZEUDKGIFVRBCJ-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.52
Rot. Bonds5

About N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide

N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 111437978) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID111437978
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NCCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O3/c1-12(20)13-6-9-19(10-7-13)16(21)18-8-11-22-15-4-2-14(17)3-5-15/h2-5,12-13,20H,6-11H2,1H3,(H,18,21)
InChIKeyTZEUDKGIFVRBCJ-UHFFFAOYSA-N
XLogP2.52
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.52
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-(4-chlorophenoxy)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895069
ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112970922
N-[2-(4-chlorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide
CID 112970900
N-[2-(4-propan-2-ylphenoxy)ethyl]azepane-1-carboxamide
CID 112972579
4-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
CID 112972518
1-butan-2-yl-3-[2-(4-chlorophenoxy)ethyl]urea
CID 47216540
4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide
CID 122566406
3-[2-(4-chlorophenoxy)ethyl]-1-(1-cyclopropylethyl)-1-methylurea
CID 87000163
4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 111437840
(3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-3-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 97238091
N-[2-(4-chlorophenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 27532771
3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 106835109

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 111437978) is N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is CC(O)C1CCN(C(=O)NCCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is TZEUDKGIFVRBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-12(20)13-6-9-19(10-7-13)16(21)18-8-11-22-15-4-2-14(17)3-5-15/h2-5,12-13,20H,6-11H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 326.82 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111437978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).