1-[4-(4-acetylphenoxy)butanoyl]-N-methylpiperidine-4-carboxamide

C19H26N2O4 — CID 134041995

IUPAC1-[4-(4-acetylphenoxy)butanoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C19H26N2O4/c1-14(22)15-5-7-17(8-6-15)25-13-3-4-18(23)21-11-9-16(10-12-21)19(24)20-2/h5-8,16H,3-4,9-13H2,1-2H3,(H,20,24)
InChIKeyYRCPBLWAOWDSAT-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.03
Rot. Bonds7

About 1-[4-(4-acetylphenoxy)butanoyl]-N-methylpiperidine-4-carboxamide

1-[4-(4-acetylphenoxy)butanoyl]-N-methylpiperidine-4-carboxamide (PubChem CID 134041995) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[4-(4-acetylphenoxy)butanoyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-acetylphenoxy)butanoyl]-N-methylpiperidine-4-carboxamide
PubChem CID134041995
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-[4-(4-acetylphenoxy)butanoyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C19H26N2O4/c1-14(22)15-5-7-17(8-6-15)25-13-3-4-18(23)21-11-9-16(10-12-21)19(24)20-2/h5-8,16H,3-4,9-13H2,1-2H3,(H,20,24)
InChIKeyYRCPBLWAOWDSAT-UHFFFAOYSA-N
XLogP2.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetylphenoxy)-1-[3-(aminomethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119483805
1-[4-(4-bromophenoxy)butanoyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 171138770
1-[4-(3-acetylphenoxy)butanoyl]piperidine-4-carboxylic acid
CID 119166436
4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119559826
1-[4-(ethylaminomethyl)piperidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 119644268
4-(3-acetylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
CID 119647391
1-[2-(4-methoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420386
1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119373343
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
4-methoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548924
4-(4-acetylphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 4841380

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenoxy)butanoyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-acetylphenoxy)butanoyl]-N-methylpiperidine-4-carboxamide (CID 134041995) is 1-[4-(4-acetylphenoxy)butanoyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-acetylphenoxy)butanoyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-acetylphenoxy)butanoyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)CCCOc2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of 1-[4-(4-acetylphenoxy)butanoyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is YRCPBLWAOWDSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14(22)15-5-7-17(8-6-15)25-13-3-4-18(23)21-11-9-16(10-12-21)19(24)20-2/h5-8,16H,3-4,9-13H2,1-2H3,(H,20,24).
What are the key properties of 1-[4-(4-acetylphenoxy)butanoyl]-N-methylpiperidine-4-carboxamide?
1-[4-(4-acetylphenoxy)butanoyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenoxy)butanoyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 134041995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).