N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide

C23H36N2O3 — CID 108561132

IUPACN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide
SMILESCc1cccc(C)c1OCCCC(=O)NC1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C23H36N2O3/c1-17-8-6-9-18(2)22(17)28-15-7-10-20(26)24-19-11-13-25(14-12-19)21(27)16-23(3,4)5/h6,8-9,19H,7,10-16H2,1-5H3,(H,24,26)
InChIKeyXZCQVYFQPFFYGL-UHFFFAOYSA-N
MW388.55 g/mol
LogP4.01
Rot. Bonds7

About N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide

N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide (PubChem CID 108561132) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide
PubChem CID108561132
Molecular FormulaC23H36N2O3
Molecular Weight388.55 g/mol
Exact Mass388.27
IUPAC NameN-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide
SMILESCc1cccc(C)c1OCCCC(=O)NC1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C23H36N2O3/c1-17-8-6-9-18(2)22(17)28-15-7-10-20(26)24-19-11-13-25(14-12-19)21(27)16-23(3,4)5/h6,8-9,19H,7,10-16H2,1-5H3,(H,24,26)
InChIKeyXZCQVYFQPFFYGL-UHFFFAOYSA-N
XLogP4.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 54.01
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

4-(2,6-dimethylphenoxy)-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
CID 108553492
2-methylpropyl 4-[4-(2,6-dimethylphenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561128
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide
CID 108553531
3-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-1,1-dimethylurea
CID 108565372
2,2-dichloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]acetamide
CID 108565365
prop-2-enyl N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]carbamate
CID 108565374
[3-[4-[4-(2,6-dimethylphenoxy)butanoylamino]piperidine-1-carbonyl]phenyl] acetate
CID 108927434
2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550822
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 110822276
N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
CID 108561273
tert-butyl 4-[[2-(2,6-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 55986374
4-(2-methylphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]butanamide
CID 108553764

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide?
The IUPAC name of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide (CID 108561132) is N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide.
What is the SMILES notation for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide?
The canonical SMILES for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide is Cc1cccc(C)c1OCCCC(=O)NC1CCN(C(=O)CC(C)(C)C)CC1.
What is the InChIKey of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide?
The InChIKey is XZCQVYFQPFFYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O3/c1-17-8-6-9-18(2)22(17)28-15-7-10-20(26)24-19-11-13-25(14-12-19)21(27)16-23(3,4)5/h6,8-9,19H,7,10-16H2,1-5H3,(H,24,26).
What are the key properties of N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide?
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide has a molecular weight of 388.55 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-4-(2,6-dimethylphenoxy)butanamide is sourced from PubChem (CID 108561132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).