2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide

C20H30N2O3 — CID 108558499

IUPAC2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
SMILESCc1ccc(OCCCC(=O)N2CCC(NC(=O)C(C)C)CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-15(2)20(24)21-17-10-12-22(13-11-17)19(23)5-4-14-25-18-8-6-16(3)7-9-18/h6-9,15,17H,4-5,10-14H2,1-3H3,(H,21,24)
InChIKeyIQMABMDHJJVFLW-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.92
Rot. Bonds7

About 2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide

2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide (PubChem CID 108558499) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
PubChem CID108558499
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
SMILESCc1ccc(OCCCC(=O)N2CCC(NC(=O)C(C)C)CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-15(2)20(24)21-17-10-12-22(13-11-17)19(23)5-4-14-25-18-8-6-16(3)7-9-18/h6-9,15,17H,4-5,10-14H2,1-3H3,(H,21,24)
InChIKeyIQMABMDHJJVFLW-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide
CID 108565343
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108549552
N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 49493081
4-methoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548924
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108555362
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 110822595
3,5-dimethoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550599
N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557848
methyl 4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561101
N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide
CID 108561105
1-(4-benzylpiperidin-1-yl)-4-(4-methylphenoxy)butan-1-one
CID 124749146

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide (CID 108558499) is 2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide is Cc1ccc(OCCCC(=O)N2CCC(NC(=O)C(C)C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide?
The InChIKey is IQMABMDHJJVFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(2)20(24)21-17-10-12-22(13-11-17)19(23)5-4-14-25-18-8-6-16(3)7-9-18/h6-9,15,17H,4-5,10-14H2,1-3H3,(H,21,24).
What are the key properties of 2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide?
2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide has a molecular weight of 346.47 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 108558499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).