4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide

C18H26N2O3 — CID 120555349

IUPAC4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NC2CCNCC2C)cc1
InChIInChI=1S/C18H26N2O3/c1-3-23-15-6-4-14(5-7-15)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)
InChIKeyWHZQBECGTCNTHG-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.16
Rot. Bonds7

About 4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide

4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide (PubChem CID 120555349) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
PubChem CID120555349
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NC2CCNCC2C)cc1
InChIInChI=1S/C18H26N2O3/c1-3-23-15-6-4-14(5-7-15)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)
InChIKeyWHZQBECGTCNTHG-UHFFFAOYSA-N
XLogP2.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 120553976
4-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
CID 120555617
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentylphenyl)butanamide;hydrochloride
CID 120553973
4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120555351
4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119537733
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide
CID 120555604
4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453244
N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 120556092
4-(cyclopropylmethoxy)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556355
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119426454

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide (CID 120555349) is 4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)NC2CCNCC2C)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide?
The InChIKey is WHZQBECGTCNTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-23-15-6-4-14(5-7-15)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).
What are the key properties of 4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide?
4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide has a molecular weight of 318.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide is sourced from PubChem (CID 120555349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).