4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid

C25H34N2O4 — CID 146418217

IUPAC4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(COc2ccc(C3=CCC(C(=O)N4CCCCC4)CC3)cc2)CC1
InChIInChI=1S/C25H34N2O4/c28-24(26-14-2-1-3-15-26)22-6-4-20(5-7-22)21-8-10-23(11-9-21)31-18-19-12-16-27(17-13-19)25(29)30/h4,8-11,19,22H,1-3,5-7,12-18H2,(H,29,30)
InChIKeyDCKUZCVSBBKIMG-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.65
Rot. Bonds5

About 4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid

4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid (PubChem CID 146418217) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid
PubChem CID146418217
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(COc2ccc(C3=CCC(C(=O)N4CCCCC4)CC3)cc2)CC1
InChIInChI=1S/C25H34N2O4/c28-24(26-14-2-1-3-15-26)22-6-4-20(5-7-22)21-8-10-23(11-9-21)31-18-19-12-16-27(17-13-19)25(29)30/h4,8-11,19,22H,1-3,5-7,12-18H2,(H,29,30)
InChIKeyDCKUZCVSBBKIMG-UHFFFAOYSA-N
XLogP4.65
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

tert-butyl 4-[[4-[4-(3-methoxyiminoazetidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylate
CID 123293199
[4-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-piperazin-1-ylmethanone
CID 129104890
1-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-ene-1-carbonyl]piperidine-4-carbonitrile
CID 123936551
(4-nitrophenyl) 4-[[2-fluoro-4-[4-(pyrrolidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylate
CID 129104883
cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 53150344
1-[4-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-ene-1-carbonyl]pyrrolidin-3-one
CID 126640295
(3-hydroxyazetidin-1-yl)-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone
CID 123328287
[2-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]-[4-[4-(piperidin-4-ylmethoxy)phenyl]cyclohex-3-en-1-yl]methanone
CID 144954324
[3-(dimethylamino)pyrrolidin-1-yl]-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone;hydrochloride
CID 126640234
[4-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-piperidin-1-ium-1-ylmethanone
CID 144954288
tert-butyl 4-[[4-[4-[bis(2-hydroxyethyl)carbamoyl]cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylate
CID 118493329
tert-butyl 4-[[6-[4-(4-hydroxypiperidine-1-carbonyl)cyclohexen-1-yl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 129104932

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid (CID 146418217) is 4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(COc2ccc(C3=CCC(C(=O)N4CCCCC4)CC3)cc2)CC1.
What is the InChIKey of 4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid?
The InChIKey is DCKUZCVSBBKIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c28-24(26-14-2-1-3-15-26)22-6-4-20(5-7-22)21-8-10-23(11-9-21)31-18-19-12-16-27(17-13-19)25(29)30/h4,8-11,19,22H,1-3,5-7,12-18H2,(H,29,30).
What are the key properties of 4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid?
4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid has a molecular weight of 426.56 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 146418217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).