2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid

C20H27NO3 — CID 119178888

IUPAC2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H27NO3/c22-19(23)14-15-10-12-21(13-11-15)20(24)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-5,15,17-18H,6-14H2,(H,22,23)
InChIKeyBUUQNAZXEYGLSS-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.67
Rot. Bonds4

About 2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid

2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid (PubChem CID 119178888) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
PubChem CID119178888
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H27NO3/c22-19(23)14-15-10-12-21(13-11-15)20(24)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-5,15,17-18H,6-14H2,(H,22,23)
InChIKeyBUUQNAZXEYGLSS-UHFFFAOYSA-N
XLogP3.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-phenylcyclobutanecarbonyl)piperidin-4-yl]acetamide
CID 56820326
(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928
2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 81368111
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 119540404
2-[ethyl-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid
CID 129007942
2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
CID 119663109
2-[1-(4-methylidenecyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 138029014
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone
CID 167913820
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-phenylcyclohexyl)ethanone;hydrochloride
CID 119486230

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid (CID 119178888) is 2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of 2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid?
The InChIKey is BUUQNAZXEYGLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c22-19(23)14-15-10-12-21(13-11-15)20(24)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-5,15,17-18H,6-14H2,(H,22,23).
What are the key properties of 2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid?
2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid has a molecular weight of 329.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).