4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide

C17H26N2O3 — CID 120555351

IUPAC4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide
SMILESCOc1ccc(OCCCC(=O)NC2CCNCC2C)cc1
InChIInChI=1S/C17H26N2O3/c1-13-12-18-10-9-16(13)19-17(20)4-3-11-22-15-7-5-14(21-2)6-8-15/h5-8,13,16,18H,3-4,9-12H2,1-2H3,(H,19,20)
InChIKeyCIZAUJMVLVZXRT-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.97
Rot. Bonds7

About 4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide

4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide (PubChem CID 120555351) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide
PubChem CID120555351
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide
SMILESCOc1ccc(OCCCC(=O)NC2CCNCC2C)cc1
InChIInChI=1S/C17H26N2O3/c1-13-12-18-10-9-16(13)19-17(20)4-3-11-22-15-7-5-14(21-2)6-8-15/h5-8,13,16,18H,3-4,9-12H2,1-2H3,(H,19,20)
InChIKeyCIZAUJMVLVZXRT-UHFFFAOYSA-N
XLogP1.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120554975
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 120553976
N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 120556092
N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide
CID 120555604
3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553278
4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
CID 120555349
N-(3-methylpiperidin-4-yl)-4-(2-phenylethoxy)butanamide;hydrochloride
CID 120555490
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybutanamide;hydrochloride
CID 120556581
3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120557730

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide (CID 120555351) is 4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide is COc1ccc(OCCCC(=O)NC2CCNCC2C)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide?
The InChIKey is CIZAUJMVLVZXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-12-18-10-9-16(13)19-17(20)4-3-11-22-15-7-5-14(21-2)6-8-15/h5-8,13,16,18H,3-4,9-12H2,1-2H3,(H,19,20).
What are the key properties of 4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide?
4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide has a molecular weight of 306.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 120555351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).