1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carboxylic acid

C18H23NO3 — CID 45433242

IUPAC1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(C1CCCC1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C18H23NO3/c20-16(14-6-4-5-7-14)19-12-10-18(11-13-19,17(21)22)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2,(H,21,22)
InChIKeyZUGAHMWIYDJYHN-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.82
Rot. Bonds3

About 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carboxylic acid

1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 45433242) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID45433242
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(C1CCCC1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C18H23NO3/c20-16(14-6-4-5-7-14)19-12-10-18(11-13-19,17(21)22)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2,(H,21,22)
InChIKeyZUGAHMWIYDJYHN-UHFFFAOYSA-N
XLogP2.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carboxylic acid (CID 45433242) is 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carboxylic acid is O=C(C1CCCC1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is ZUGAHMWIYDJYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-16(14-6-4-5-7-14)19-12-10-18(11-13-19,17(21)22)15-8-2-1-3-9-15/h1-3,8-9,14H,4-7,10-13H2,(H,21,22).
What are the key properties of 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carboxylic acid?
1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 45433242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).