[4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone

C18H27N3O2 — CID 58347497

IUPAC[4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone
SMILESO=C(c1cc(OCCC2CCCCC2)ccn1)N1CCNCC1
InChIInChI=1S/C18H27N3O2/c22-18(21-11-9-19-10-12-21)17-14-16(6-8-20-17)23-13-7-15-4-2-1-3-5-15/h6,8,14-15,19H,1-5,7,9-13H2
InChIKeyRFTVRFFGWFLILF-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.48
Rot. Bonds5

About [4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone

[4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 58347497) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is [4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone
PubChem CID58347497
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name[4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone
SMILESO=C(c1cc(OCCC2CCCCC2)ccn1)N1CCNCC1
InChIInChI=1S/C18H27N3O2/c22-18(21-11-9-19-10-12-21)17-14-16(6-8-20-17)23-13-7-15-4-2-1-3-5-15/h6,8,14-15,19H,1-5,7,9-13H2
InChIKeyRFTVRFFGWFLILF-UHFFFAOYSA-N
XLogP2.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(2-piperidin-3-ylethoxy)pyridine-2-carboxamide
CID 62358035
4-(cyclohexylmethoxy)pyridine-2-carboxylic acid
CID 62382036
[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 53150710
N-[2-[1-(4-methoxypyridine-2-carbonyl)piperidin-4-yl]ethyl]acetamide
CID 91786506
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 58347743
4-(2-cyclopentylethoxy)pyridine
CID 91320777
[4-(cyclohexylmethoxy)phenyl]-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119418066
3-[2-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]pyrazine-2-carboxylic acid
CID 58347948
[4-(3-amino-1,2,4-triazole-4-carbonyl)piperazin-1-yl]-[3-(2-cyclohexylethoxy)phenyl]methanone
CID 24803138
1,4-diazepan-1-yl-(4-pyrazol-1-yl-2-pyridinyl)methanone
CID 119414516
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone
CID 58347663
(4-methylpiperidin-1-yl)-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone
CID 67012303

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone (CID 58347497) is [4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone is O=C(c1cc(OCCC2CCCCC2)ccn1)N1CCNCC1.
What is the InChIKey of [4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is RFTVRFFGWFLILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(21-11-9-19-10-12-21)17-14-16(6-8-20-17)23-13-7-15-4-2-1-3-5-15/h6,8,14-15,19H,1-5,7,9-13H2.
What are the key properties of [4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone?
[4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 317.43 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 58347497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).