4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride

C18H27ClN2O2 — CID 120555617

IUPAC4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
SMILESCCc1ccc(C(=O)CCC(=O)NC2CCNCC2C)cc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-3-14-4-6-15(7-5-14)17(21)8-9-18(22)20-16-10-11-19-12-13(16)2;/h4-7,13,16,19H,3,8-12H2,1-2H3,(H,20,22);1H
InChIKeyYLJNWHNXVPKHSL-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.75
Rot. Bonds6

About 4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride

4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride (PubChem CID 120555617) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
PubChem CID120555617
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
SMILESCCc1ccc(C(=O)CCC(=O)NC2CCNCC2C)cc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-3-14-4-6-15(7-5-14)17(21)8-9-18(22)20-16-10-11-19-12-13(16)2;/h4-7,13,16,19H,3,8-12H2,1-2H3,(H,20,22);1H
InChIKeyYLJNWHNXVPKHSL-UHFFFAOYSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride
CID 120553973
4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
CID 120555349
4-(4-ethylphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119425791
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 120553976
3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120553755
3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553300
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120554957
N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride
CID 120557551
4-(2,5-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
CID 120553639
N-(3-methylpiperidin-4-yl)-3-naphthalen-2-ylpropanamide;hydrochloride
CID 120554205
1-(4-ethylphenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606137

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride?
The IUPAC name of 4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride (CID 120555617) is 4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for 4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for 4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride is CCc1ccc(C(=O)CCC(=O)NC2CCNCC2C)cc1.Cl.
What is the InChIKey of 4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride?
The InChIKey is YLJNWHNXVPKHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-3-14-4-6-15(7-5-14)17(21)8-9-18(22)20-16-10-11-19-12-13(16)2;/h4-7,13,16,19H,3,8-12H2,1-2H3,(H,20,22);1H.
What are the key properties of 4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride?
4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 120555617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).