1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide

C20H30N2O3 — CID 108792203

IUPAC1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide
SMILESCCCCCCOc1ccc(NC(=O)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-3-4-5-6-15-25-19-9-7-18(8-10-19)21-20(24)17-11-13-22(14-12-17)16(2)23/h7-10,17H,3-6,11-15H2,1-2H3,(H,21,24)
InChIKeyXJRTWKXMGHZNAX-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.84
Rot. Bonds8

About 1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide

1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide (PubChem CID 108792203) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide
PubChem CID108792203
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide
SMILESCCCCCCOc1ccc(NC(=O)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C20H30N2O3/c1-3-4-5-6-15-25-19-9-7-18(8-10-19)21-20(24)17-11-13-22(14-12-17)16(2)23/h7-10,17H,3-6,11-15H2,1-2H3,(H,21,24)
InChIKeyXJRTWKXMGHZNAX-UHFFFAOYSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.84
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

N-[(4-heptoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 4951619
1-(4-heptoxybenzoyl)piperidine-4-carbohydrazide
CID 54794046
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate
CID 55884295
1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide
CID 6468150
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
tert-butyl 3-[(4-butoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554251
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
2-[(4-decoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 56970029
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-(4-decoxyphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 3108313
N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]-4-hexoxybenzamide
CID 4934640

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide (CID 108792203) is 1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide is CCCCCCOc1ccc(NC(=O)C2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide?
The InChIKey is XJRTWKXMGHZNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-4-5-6-15-25-19-9-7-18(8-10-19)21-20(24)17-11-13-22(14-12-17)16(2)23/h7-10,17H,3-6,11-15H2,1-2H3,(H,21,24).
What are the key properties of 1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide?
1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-hexoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 108792203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).