4-(1-phenylmethoxycarbonylpiperidin-4-yl)butanoic acid

C17H23NO4 — CID 15512317

IUPAC4-(1-phenylmethoxycarbonylpiperidin-4-yl)butanoic acid
SMILESO=C(O)CCCC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H23NO4/c19-16(20)8-4-7-14-9-11-18(12-10-14)17(21)22-13-15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13H2,(H,19,20)
InChIKeyBZRPDNDVXWLKCX-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.29
Rot. Bonds6

About 4-(1-phenylmethoxycarbonylpiperidin-4-yl)butanoic acid

4-(1-phenylmethoxycarbonylpiperidin-4-yl)butanoic acid (PubChem CID 15512317) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 4-(1-phenylmethoxycarbonylpiperidin-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(1-phenylmethoxycarbonylpiperidin-4-yl)butanoic acid
PubChem CID15512317
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name4-(1-phenylmethoxycarbonylpiperidin-4-yl)butanoic acid
SMILESO=C(O)CCCC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H23NO4/c19-16(20)8-4-7-14-9-11-18(12-10-14)17(21)22-13-15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13H2,(H,19,20)
InChIKeyBZRPDNDVXWLKCX-UHFFFAOYSA-N
XLogP3.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylmethoxycarbonylpiperidin-4-yl)butanoic acid?
The IUPAC name of 4-(1-phenylmethoxycarbonylpiperidin-4-yl)butanoic acid (CID 15512317) is 4-(1-phenylmethoxycarbonylpiperidin-4-yl)butanoic acid.
What is the SMILES notation for 4-(1-phenylmethoxycarbonylpiperidin-4-yl)butanoic acid?
The canonical SMILES for 4-(1-phenylmethoxycarbonylpiperidin-4-yl)butanoic acid is O=C(O)CCCC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of 4-(1-phenylmethoxycarbonylpiperidin-4-yl)butanoic acid?
The InChIKey is BZRPDNDVXWLKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c19-16(20)8-4-7-14-9-11-18(12-10-14)17(21)22-13-15-5-2-1-3-6-15/h1-3,5-6,14H,4,7-13H2,(H,19,20).
What are the key properties of 4-(1-phenylmethoxycarbonylpiperidin-4-yl)butanoic acid?
4-(1-phenylmethoxycarbonylpiperidin-4-yl)butanoic acid has a molecular weight of 305.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylmethoxycarbonylpiperidin-4-yl)butanoic acid is sourced from PubChem (CID 15512317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).