4-[6-(but-3-enylamino)hexoxy]-N-(4-methylphenyl)piperidine-1-carboxamide

C23H37N3O2 — CID 141050434

IUPAC4-[6-(but-3-enylamino)hexoxy]-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESC=CCCNCCCCCCOC1CCN(C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C23H37N3O2/c1-3-4-15-24-16-7-5-6-8-19-28-22-13-17-26(18-14-22)23(27)25-21-11-9-20(2)10-12-21/h3,9-12,22,24H,1,4-8,13-19H2,2H3,(H,25,27)
InChIKeyLDWNNHHVTFTWOB-UHFFFAOYSA-N
MW387.57 g/mol
LogP4.73
Rot. Bonds12

About 4-[6-(but-3-enylamino)hexoxy]-N-(4-methylphenyl)piperidine-1-carboxamide

4-[6-(but-3-enylamino)hexoxy]-N-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 141050434) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 4-[6-(but-3-enylamino)hexoxy]-N-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(but-3-enylamino)hexoxy]-N-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID141050434
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC Name4-[6-(but-3-enylamino)hexoxy]-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESC=CCCNCCCCCCOC1CCN(C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C23H37N3O2/c1-3-4-15-24-16-7-5-6-8-19-28-22-13-17-26(18-14-22)23(27)25-21-11-9-20(2)10-12-21/h3,9-12,22,24H,1,4-8,13-19H2,2H3,(H,25,27)
InChIKeyLDWNNHHVTFTWOB-UHFFFAOYSA-N
XLogP4.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-4-[6-(but-3-enylamino)hexoxy]piperidine-1-carboxamide
CID 141050431
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-N-(3-ethoxypropyl)-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 651583
N-(4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53033008
N-(4-methylphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperidine-1-carboxamide
CID 52998818
4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 48832439
4-[6-(but-3-enylamino)hexoxy]-N-(2,4-difluorophenyl)piperidine-1-sulfonamide
CID 141050426
1-methyl-3-(4-methylphenyl)-1-[4-[7-[methyl(prop-2-enyl)amino]heptoxy]cyclohexyl]urea
CID 22567913
4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20930657
4-cyclopropyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 47455397
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254

Frequently Asked Questions

What is the IUPAC name of 4-[6-(but-3-enylamino)hexoxy]-N-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[6-(but-3-enylamino)hexoxy]-N-(4-methylphenyl)piperidine-1-carboxamide (CID 141050434) is 4-[6-(but-3-enylamino)hexoxy]-N-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[6-(but-3-enylamino)hexoxy]-N-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[6-(but-3-enylamino)hexoxy]-N-(4-methylphenyl)piperidine-1-carboxamide is C=CCCNCCCCCCOC1CCN(C(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of 4-[6-(but-3-enylamino)hexoxy]-N-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is LDWNNHHVTFTWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-3-4-15-24-16-7-5-6-8-19-28-22-13-17-26(18-14-22)23(27)25-21-11-9-20(2)10-12-21/h3,9-12,22,24H,1,4-8,13-19H2,2H3,(H,25,27).
What are the key properties of 4-[6-(but-3-enylamino)hexoxy]-N-(4-methylphenyl)piperidine-1-carboxamide?
4-[6-(but-3-enylamino)hexoxy]-N-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 387.57 g/mol, XLogP of 4.73, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(but-3-enylamino)hexoxy]-N-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 141050434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).