3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid

C17H22N2O4 — CID 167793829

IUPAC3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(NC(=O)N2CCCC(c3ccc(O)cc3)C2)C1
InChIInChI=1S/C17H22N2O4/c20-15-5-3-11(4-6-15)12-2-1-7-19(10-12)17(23)18-14-8-13(9-14)16(21)22/h3-6,12-14,20H,1-2,7-10H2,(H,18,23)(H,21,22)
InChIKeyFFURCFRNOUPXJP-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.14
Rot. Bonds3

About 3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid

3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 167793829) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
PubChem CID167793829
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(NC(=O)N2CCCC(c3ccc(O)cc3)C2)C1
InChIInChI=1S/C17H22N2O4/c20-15-5-3-11(4-6-15)12-2-1-7-19(10-12)17(23)18-14-8-13(9-14)16(21)22/h3-6,12-14,20H,1-2,7-10H2,(H,18,23)(H,21,22)
InChIKeyFFURCFRNOUPXJP-UHFFFAOYSA-N
XLogP2.14
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide
CID 121146751
(3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide
CID 126433474
4-[[3-(4-ethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024709
(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033013
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147885
1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid
CID 122013071
(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide
CID 95592066
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
1-[[3-(2-chlorophenyl)cyclobutyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015654
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
(3S)-1-[(4,4-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125593

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid (CID 167793829) is 3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid is O=C(O)C1CC(NC(=O)N2CCCC(c3ccc(O)cc3)C2)C1.
What is the InChIKey of 3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is FFURCFRNOUPXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-15-5-3-11(4-6-15)12-2-1-7-19(10-12)17(23)18-14-8-13(9-14)16(21)22/h3-6,12-14,20H,1-2,7-10H2,(H,18,23)(H,21,22).
What are the key properties of 3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid?
3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 318.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-hydroxyphenyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 167793829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).