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

C18H29ClN2O — CID 120553755

IUPAC3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
SMILESCCc1ccc(C(C)CC(=O)NC2CCNCC2C)cc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-4-15-5-7-16(8-6-15)13(2)11-18(21)20-17-9-10-19-12-14(17)3;/h5-8,13-14,17,19H,4,9-12H2,1-3H3,(H,20,21);1H
InChIKeyAXZWAEOXYOMQJM-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.28
Rot. Bonds5

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

3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride (PubChem CID 120553755) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
PubChem CID120553755
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
SMILESCCc1ccc(C(C)CC(=O)NC2CCNCC2C)cc1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-4-15-5-7-16(8-6-15)13(2)11-18(21)20-17-9-10-19-12-14(17)3;/h5-8,13-14,17,19H,4,9-12H2,1-3H3,(H,20,21);1H
InChIKeyAXZWAEOXYOMQJM-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
CID 120555617
3-(2-methoxyphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120553500
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide
CID 119609944
3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide
CID 79886443
N-(4-aminocyclohexyl)-3-(4-ethylphenyl)butanamide
CID 119475429
5-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide
CID 120553771
3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553300
2-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557156
N-(3-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120553376
2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide
CID 120556800
3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120554957

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
The IUPAC name of 3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride (CID 120553755) is 3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
The canonical SMILES for 3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride is CCc1ccc(C(C)CC(=O)NC2CCNCC2C)cc1.Cl.
What is the InChIKey of 3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
The InChIKey is AXZWAEOXYOMQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-4-15-5-7-16(8-6-15)13(2)11-18(21)20-17-9-10-19-12-14(17)3;/h5-8,13-14,17,19H,4,9-12H2,1-3H3,(H,20,21);1H.
What are the key properties of 3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride is sourced from PubChem (CID 120553755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).