4-benzyl-1-(cyclopentanecarbonyl)piperidine-4-carboxylic acid

C19H25NO3 — CID 134787290

IUPAC4-benzyl-1-(cyclopentanecarbonyl)piperidine-4-carboxylic acid
SMILESO=C(C1CCCC1)N1CCC(Cc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C19H25NO3/c21-17(16-8-4-5-9-16)20-12-10-19(11-13-20,18(22)23)14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,22,23)
InChIKeyNSVFRHMXHZXAPL-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.11
Rot. Bonds4

About 4-benzyl-1-(cyclopentanecarbonyl)piperidine-4-carboxylic acid

4-benzyl-1-(cyclopentanecarbonyl)piperidine-4-carboxylic acid (PubChem CID 134787290) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-benzyl-1-(cyclopentanecarbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-1-(cyclopentanecarbonyl)piperidine-4-carboxylic acid
PubChem CID134787290
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-benzyl-1-(cyclopentanecarbonyl)piperidine-4-carboxylic acid
SMILESO=C(C1CCCC1)N1CCC(Cc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C19H25NO3/c21-17(16-8-4-5-9-16)20-12-10-19(11-13-20,18(22)23)14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,22,23)
InChIKeyNSVFRHMXHZXAPL-UHFFFAOYSA-N
XLogP3.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(cyclopentanecarbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-benzyl-1-(cyclopentanecarbonyl)piperidine-4-carboxylic acid (CID 134787290) is 4-benzyl-1-(cyclopentanecarbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-benzyl-1-(cyclopentanecarbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-benzyl-1-(cyclopentanecarbonyl)piperidine-4-carboxylic acid is O=C(C1CCCC1)N1CCC(Cc2ccccc2)(C(=O)O)CC1.
What is the InChIKey of 4-benzyl-1-(cyclopentanecarbonyl)piperidine-4-carboxylic acid?
The InChIKey is NSVFRHMXHZXAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-17(16-8-4-5-9-16)20-12-10-19(11-13-20,18(22)23)14-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14H2,(H,22,23).
What are the key properties of 4-benzyl-1-(cyclopentanecarbonyl)piperidine-4-carboxylic acid?
4-benzyl-1-(cyclopentanecarbonyl)piperidine-4-carboxylic acid has a molecular weight of 315.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(cyclopentanecarbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 134787290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).