4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide

C18H22N4O2 — CID 87011077

IUPAC4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccn1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C18H22N4O2/c23-18(20-17-8-4-5-9-19-17)22-12-10-21(11-13-22)14-15-24-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,19,20,23)
InChIKeyKONIBTKSKBUCMF-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.31
Rot. Bonds5

About 4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide

4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 87011077) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID87011077
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccn1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C18H22N4O2/c23-18(20-17-8-4-5-9-19-17)22-12-10-21(11-13-22)14-15-24-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,19,20,23)
InChIKeyKONIBTKSKBUCMF-UHFFFAOYSA-N
XLogP2.31
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-pyridin-2-ylpiperazine-1-carboxamide
CID 166410262
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451
4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267011
N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 47050346
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72862145
4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583904
N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72879757
4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide
CID 124608403
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
1-[2-(3-cyanophenoxy)ethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51124507
phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate
CID 59382148

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide (CID 87011077) is 4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide is O=C(Nc1ccccn1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is KONIBTKSKBUCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(20-17-8-4-5-9-19-17)22-12-10-21(11-13-22)14-15-24-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,19,20,23).
What are the key properties of 4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide?
4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 87011077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).