4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide

C16H22N2O3 — CID 119426454

IUPAC4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NC2CCCNC2)cc1
InChIInChI=1S/C16H22N2O3/c1-21-14-6-4-12(5-7-14)15(19)8-9-16(20)18-13-3-2-10-17-11-13/h4-7,13,17H,2-3,8-11H2,1H3,(H,18,20)
InChIKeyOVZHXMKGQWQCEI-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.53
Rot. Bonds6

About 4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide

4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide (PubChem CID 119426454) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
PubChem CID119426454
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NC2CCCNC2)cc1
InChIInChI=1S/C16H22N2O3/c1-21-14-6-4-12(5-7-14)15(19)8-9-16(20)18-13-3-2-10-17-11-13/h4-7,13,17H,2-3,8-11H2,1H3,(H,18,20)
InChIKeyOVZHXMKGQWQCEI-UHFFFAOYSA-N
XLogP1.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride
CID 119426453
4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119425791
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
3-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119424304
4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453244
2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride
CID 119428950
4-(4-acetylphenoxy)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119424890
3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119425554
4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide
CID 119450584
3-(3-methoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428341
4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 45175838
4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449629

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide?
The IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide (CID 119426454) is 4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide?
The canonical SMILES for 4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide is COc1ccc(C(=O)CCC(=O)NC2CCCNC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide?
The InChIKey is OVZHXMKGQWQCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-14-6-4-12(5-7-14)15(19)8-9-16(20)18-13-3-2-10-17-11-13/h4-7,13,17H,2-3,8-11H2,1H3,(H,18,20).
What are the key properties of 4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide?
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide has a molecular weight of 290.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide is sourced from PubChem (CID 119426454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).