4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

C22H31NO4 — CID 146129180

IUPAC4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(CCC2CCN(C(=O)C3CCC(C(=O)O)CC3)CC2)cc1
InChIInChI=1S/C22H31NO4/c1-27-20-10-4-16(5-11-20)2-3-17-12-14-23(15-13-17)21(24)18-6-8-19(9-7-18)22(25)26/h4-5,10-11,17-19H,2-3,6-9,12-15H2,1H3,(H,25,26)
InChIKeyYAVYYFTYNZSJOW-UHFFFAOYSA-N
MW373.49 g/mol
LogP3.76
Rot. Bonds6

About 4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid

4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 146129180) has the molecular formula C22H31NO4 and a molecular weight of 373.49 g/mol. Its IUPAC name is 4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID146129180
Molecular FormulaC22H31NO4
Molecular Weight373.49 g/mol
Exact Mass373.23
IUPAC Name4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(CCC2CCN(C(=O)C3CCC(C(=O)O)CC3)CC2)cc1
InChIInChI=1S/C22H31NO4/c1-27-20-10-4-16(5-11-20)2-3-17-12-14-23(15-13-17)21(24)18-6-8-19(9-7-18)22(25)26/h4-5,10-11,17-19H,2-3,6-9,12-15H2,1H3,(H,25,26)
InChIKeyYAVYYFTYNZSJOW-UHFFFAOYSA-N
XLogP3.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
3-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 69258628
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine
CID 134017737
tert-butyl 4-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 52544737
[4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 120920469
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 55481734
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56813827
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119275901
1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 55465062
2-[4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]phenoxy]acetamide
CID 17409629

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid (CID 146129180) is 4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is COc1ccc(CCC2CCN(C(=O)C3CCC(C(=O)O)CC3)CC2)cc1.
What is the InChIKey of 4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is YAVYYFTYNZSJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO4/c1-27-20-10-4-16(5-11-20)2-3-17-12-14-23(15-13-17)21(24)18-6-8-19(9-7-18)22(25)26/h4-5,10-11,17-19H,2-3,6-9,12-15H2,1H3,(H,25,26).
What are the key properties of 4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid?
4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 373.49 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 146129180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).