N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C18H22N4O3 — CID 108871232

IUPACN-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ccccn2)CC1)Oc1ccc(O)cc1
InChIInChI=1S/C18H22N4O3/c1-14(25-16-7-5-15(23)6-8-16)20-18(24)22-12-10-21(11-13-22)17-4-2-3-9-19-17/h2-9,14,23H,10-13H2,1H3,(H,20,24)
InChIKeyVJHOYQLKFJSWLH-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.04
Rot. Bonds4

About N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 108871232) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID108871232
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ccccn2)CC1)Oc1ccc(O)cc1
InChIInChI=1S/C18H22N4O3/c1-14(25-16-7-5-15(23)6-8-16)20-18(24)22-12-10-21(11-13-22)17-4-2-3-9-19-17/h2-9,14,23H,10-13H2,1H3,(H,20,24)
InChIKeyVJHOYQLKFJSWLH-UHFFFAOYSA-N
XLogP2.04
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide
CID 108871212
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
4-(2,3-dimethylphenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide
CID 108871201
N-pentan-3-yl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 47151884
(2S)-2-(4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 7354583
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 51143811
N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53370981
N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 171138978
N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108880006
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53368538
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 95100171

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 108871232) is N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide is CC(NC(=O)N1CCN(c2ccccn2)CC1)Oc1ccc(O)cc1.
What is the InChIKey of N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is VJHOYQLKFJSWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-14(25-16-7-5-15(23)6-8-16)20-18(24)22-12-10-21(11-13-22)17-4-2-3-9-19-17/h2-9,14,23H,10-13H2,1H3,(H,20,24).
What are the key properties of N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 108871232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).