4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide

C19H28N2O4 — CID 120601904

IUPAC4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)NC1CCNC(C)C1
InChIInChI=1S/C19H28N2O4/c1-13-11-16(8-9-20-13)21-19(23)5-4-10-25-17-7-6-15(14(2)22)12-18(17)24-3/h6-7,12-13,16,20H,4-5,8-11H2,1-3H3,(H,21,23)
InChIKeyAQIZVDBTHNRDKN-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.31
Rot. Bonds8

About 4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide

4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide (PubChem CID 120601904) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
PubChem CID120601904
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)NC1CCNC(C)C1
InChIInChI=1S/C19H28N2O4/c1-13-11-16(8-9-20-13)21-19(23)5-4-10-25-17-7-6-15(14(2)22)12-18(17)24-3/h6-7,12-13,16,20H,4-5,8-11H2,1-3H3,(H,21,23)
InChIKeyAQIZVDBTHNRDKN-UHFFFAOYSA-N
XLogP2.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetyl-2-methoxyphenoxy)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119388425
4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120600169
3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
CID 120598164
4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120602231
4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 120601980
3-(4-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598284
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 120602634
5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide
CID 120600867
N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 120599219
3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide
CID 120597846
N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 120597993

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide?
The IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide (CID 120601904) is 4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide is COc1cc(C(C)=O)ccc1OCCCC(=O)NC1CCNC(C)C1.
What is the InChIKey of 4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide?
The InChIKey is AQIZVDBTHNRDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13-11-16(8-9-20-13)21-19(23)5-4-10-25-17-7-6-15(14(2)22)12-18(17)24-3/h6-7,12-13,16,20H,4-5,8-11H2,1-3H3,(H,21,23).
What are the key properties of 4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide?
4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide has a molecular weight of 348.44 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 120601904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).