5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide

C18H28N2O2 — CID 120600867

IUPAC5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide
SMILESCc1cccc(OCCCCC(=O)NC2CCNC(C)C2)c1
InChIInChI=1S/C18H28N2O2/c1-14-6-5-7-17(12-14)22-11-4-3-8-18(21)20-16-9-10-19-15(2)13-16/h5-7,12,15-16,19H,3-4,8-11,13H2,1-2H3,(H,20,21)
InChIKeyUORMQZCNCBBYLQ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.80
Rot. Bonds7

About 5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide

5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide (PubChem CID 120600867) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide
PubChem CID120600867
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide
SMILESCc1cccc(OCCCCC(=O)NC2CCNC(C)C2)c1
InChIInChI=1S/C18H28N2O2/c1-14-6-5-7-17(12-14)22-11-4-3-8-18(21)20-16-9-10-19-15(2)13-16/h5-7,12,15-16,19H,3-4,8-11,13H2,1-2H3,(H,20,21)
InChIKeyUORMQZCNCBBYLQ-UHFFFAOYSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
CID 119451072
4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120602231
3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide
CID 120597846
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3-methylphenoxy)butanamide;hydrochloride
CID 119457110
3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 66033106
3-[(3-methylphenyl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide
CID 120601738
3-(4-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598284
3-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601809
4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide
CID 62490445
N-(1,1-dioxothiolan-3-yl)-4-(3-methylphenoxy)butanamide
CID 46558987
N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 120597993
4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120600169

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide?
The IUPAC name of 5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide (CID 120600867) is 5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide.
What is the SMILES notation for 5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide?
The canonical SMILES for 5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide is Cc1cccc(OCCCCC(=O)NC2CCNC(C)C2)c1.
What is the InChIKey of 5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide?
The InChIKey is UORMQZCNCBBYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14-6-5-7-17(12-14)22-11-4-3-8-18(21)20-16-9-10-19-15(2)13-16/h5-7,12,15-16,19H,3-4,8-11,13H2,1-2H3,(H,20,21).
What are the key properties of 5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide?
5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide has a molecular weight of 304.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 120600867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).