4-oxo-4-[4-(piperidin-4-ylmethyl)phenyl]butanamide

C16H22N2O2 — CID 139989119

IUPAC4-oxo-4-[4-(piperidin-4-ylmethyl)phenyl]butanamide
SMILESNC(=O)CCC(=O)c1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C16H22N2O2/c17-16(20)6-5-15(19)14-3-1-12(2-4-14)11-13-7-9-18-10-8-13/h1-4,13,18H,5-11H2,(H2,17,20)
InChIKeyISZVLGBUNLQFQS-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.68
Rot. Bonds6

About 4-oxo-4-[4-(piperidin-4-ylmethyl)phenyl]butanamide

4-oxo-4-[4-(piperidin-4-ylmethyl)phenyl]butanamide (PubChem CID 139989119) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-oxo-4-[4-(piperidin-4-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-[4-(piperidin-4-ylmethyl)phenyl]butanamide
PubChem CID139989119
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-oxo-4-[4-(piperidin-4-ylmethyl)phenyl]butanamide
SMILESNC(=O)CCC(=O)c1ccc(CC2CCNCC2)cc1
InChIInChI=1S/C16H22N2O2/c17-16(20)6-5-15(19)14-3-1-12(2-4-14)11-13-7-9-18-10-8-13/h1-4,13,18H,5-11H2,(H2,17,20)
InChIKeyISZVLGBUNLQFQS-UHFFFAOYSA-N
XLogP1.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[4-(piperidin-4-ylmethyl)phenyl]butanamide?
The IUPAC name of 4-oxo-4-[4-(piperidin-4-ylmethyl)phenyl]butanamide (CID 139989119) is 4-oxo-4-[4-(piperidin-4-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 4-oxo-4-[4-(piperidin-4-ylmethyl)phenyl]butanamide?
The canonical SMILES for 4-oxo-4-[4-(piperidin-4-ylmethyl)phenyl]butanamide is NC(=O)CCC(=O)c1ccc(CC2CCNCC2)cc1.
What is the InChIKey of 4-oxo-4-[4-(piperidin-4-ylmethyl)phenyl]butanamide?
The InChIKey is ISZVLGBUNLQFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-16(20)6-5-15(19)14-3-1-12(2-4-14)11-13-7-9-18-10-8-13/h1-4,13,18H,5-11H2,(H2,17,20).
What are the key properties of 4-oxo-4-[4-(piperidin-4-ylmethyl)phenyl]butanamide?
4-oxo-4-[4-(piperidin-4-ylmethyl)phenyl]butanamide has a molecular weight of 274.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[4-(piperidin-4-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 139989119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).