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

C16H23ClN2O3 — CID 119426453

IUPAC4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride
SMILESCOc1ccc(C(=O)CCC(=O)NC2CCCNC2)cc1.Cl
InChIInChI=1S/C16H22N2O3.ClH/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);1H
InChIKeyCACCZOMNISWFEA-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.95
Rot. Bonds6

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

4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119426453) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119426453
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride
SMILESCOc1ccc(C(=O)CCC(=O)NC2CCCNC2)cc1.Cl
InChIInChI=1S/C16H22N2O3.ClH/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);1H
InChIKeyCACCZOMNISWFEA-UHFFFAOYSA-N
XLogP1.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119426454
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119425791
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
3-(3-methoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428341
4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449629
4-(3-fluoro-4-methoxyphenyl)-4-oxo-N-pyrrolidin-3-ylbutanamide
CID 119450584
4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 45175838

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of 4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride (CID 119426453) is 4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for 4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for 4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride is COc1ccc(C(=O)CCC(=O)NC2CCCNC2)cc1.Cl.
What is the InChIKey of 4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is CACCZOMNISWFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/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);1H.
What are the key properties of 4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride?
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 1.95, 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;hydrochloride is sourced from PubChem (CID 119426453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).