N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide

C23H29N3O3 — CID 108548470

IUPACN-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1cccc(C)c1OCCCC(=O)N1CCC(NC(=O)c2cccnc2)CC1
InChIInChI=1S/C23H29N3O3/c1-17-6-3-7-18(2)22(17)29-15-5-9-21(27)26-13-10-20(11-14-26)25-23(28)19-8-4-12-24-16-19/h3-4,6-8,12,16,20H,5,9-11,13-15H2,1-2H3,(H,25,28)
InChIKeyULJZXFLIBZOJIB-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.28
Rot. Bonds7

About N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide

N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 108548470) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID108548470
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1cccc(C)c1OCCCC(=O)N1CCC(NC(=O)c2cccnc2)CC1
InChIInChI=1S/C23H29N3O3/c1-17-6-3-7-18(2)22(17)29-15-5-9-21(27)26-13-10-20(11-14-26)25-23(28)19-8-4-12-24-16-19/h3-4,6-8,12,16,20H,5,9-11,13-15H2,1-2H3,(H,25,28)
InChIKeyULJZXFLIBZOJIB-UHFFFAOYSA-N
XLogP3.28
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.28
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

2-chloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108550822
2,2-dichloro-N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]acetamide
CID 108565365
3-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-1,1-dimethylurea
CID 108565372
N-[1-(4-cyclohexylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47076419
N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924675
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836658
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836638
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836676
prop-2-enyl N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]carbamate
CID 108565374
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108555362
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 110822080

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide (CID 108548470) is N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide is Cc1cccc(C)c1OCCCC(=O)N1CCC(NC(=O)c2cccnc2)CC1.
What is the InChIKey of N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is ULJZXFLIBZOJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-6-3-7-18(2)22(17)29-15-5-9-21(27)26-13-10-20(11-14-26)25-23(28)19-8-4-12-24-16-19/h3-4,6-8,12,16,20H,5,9-11,13-15H2,1-2H3,(H,25,28).
What are the key properties of N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide?
N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 108548470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).