2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

C18H30N2O3 — CID 87000800

IUPAC2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(COC1CCCCC1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C18H30N2O3/c21-17(14-23-16-6-2-1-3-7-16)19-12-8-15(9-13-19)18(22)20-10-4-5-11-20/h15-16H,1-14H2
InChIKeyVQKGJNRPSAVUOQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.20
Rot. Bonds4

About 2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 87000800) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID87000800
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESO=C(COC1CCCCC1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C18H30N2O3/c21-17(14-23-16-6-2-1-3-7-16)19-12-8-15(9-13-19)18(22)20-10-4-5-11-20/h15-16H,1-14H2
InChIKeyVQKGJNRPSAVUOQ-UHFFFAOYSA-N
XLogP2.20
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea
CID 71887066
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-chloroethanone
CID 52908095
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
2-cyclopentyloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119402733
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
1-(azepan-1-yl)-2-(azetidin-3-yloxy)ethanone;hydrochloride
CID 119669536
2-(3-aminocyclopentyl)oxy-1-piperidin-1-ylethanone
CID 79464849
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone
CID 55466170

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone (CID 87000800) is 2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone is O=C(COC1CCCCC1)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of 2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is VQKGJNRPSAVUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c21-17(14-23-16-6-2-1-3-7-16)19-12-8-15(9-13-19)18(22)20-10-4-5-11-20/h15-16H,1-14H2.
What are the key properties of 2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone?
2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 322.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 87000800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).