4-(1-phenylmethoxycarbonylpiperidin-3-yl)butanoic acid

C17H23NO4 — CID 44890831

IUPAC4-(1-phenylmethoxycarbonylpiperidin-3-yl)butanoic acid
SMILESO=C(O)CCCC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C17H23NO4/c19-16(20)10-4-8-14-9-5-11-18(12-14)17(21)22-13-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H,19,20)
InChIKeyCKTKTEQFRVSTPP-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.29
Rot. Bonds6

About 4-(1-phenylmethoxycarbonylpiperidin-3-yl)butanoic acid

4-(1-phenylmethoxycarbonylpiperidin-3-yl)butanoic acid (PubChem CID 44890831) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 4-(1-phenylmethoxycarbonylpiperidin-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(1-phenylmethoxycarbonylpiperidin-3-yl)butanoic acid
PubChem CID44890831
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name4-(1-phenylmethoxycarbonylpiperidin-3-yl)butanoic acid
SMILESO=C(O)CCCC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C17H23NO4/c19-16(20)10-4-8-14-9-5-11-18(12-14)17(21)22-13-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H,19,20)
InChIKeyCKTKTEQFRVSTPP-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-3-yl)butanoic acid?
The IUPAC name of 4-(1-phenylmethoxycarbonylpiperidin-3-yl)butanoic acid (CID 44890831) is 4-(1-phenylmethoxycarbonylpiperidin-3-yl)butanoic acid.
What is the SMILES notation for 4-(1-phenylmethoxycarbonylpiperidin-3-yl)butanoic acid?
The canonical SMILES for 4-(1-phenylmethoxycarbonylpiperidin-3-yl)butanoic acid is O=C(O)CCCC1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of 4-(1-phenylmethoxycarbonylpiperidin-3-yl)butanoic acid?
The InChIKey is CKTKTEQFRVSTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c19-16(20)10-4-8-14-9-5-11-18(12-14)17(21)22-13-15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H,19,20).
What are the key properties of 4-(1-phenylmethoxycarbonylpiperidin-3-yl)butanoic acid?
4-(1-phenylmethoxycarbonylpiperidin-3-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-3-yl)butanoic acid is sourced from PubChem (CID 44890831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).