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

C21H25N3O3 — CID 47836638

IUPACN-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)c3cccnc3)CC2)c(C)c1
InChIInChI=1S/C21H25N3O3/c1-15-5-6-19(16(2)12-15)27-14-20(25)24-10-7-18(8-11-24)23-21(26)17-4-3-9-22-13-17/h3-6,9,12-13,18H,7-8,10-11,14H2,1-2H3,(H,23,26)
InChIKeyDBQSIQIZVUERQE-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.50
Rot. Bonds5

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

N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 47836638) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID47836638
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)c3cccnc3)CC2)c(C)c1
InChIInChI=1S/C21H25N3O3/c1-15-5-6-19(16(2)12-15)27-14-20(25)24-10-7-18(8-11-24)23-21(26)17-4-3-9-22-13-17/h3-6,9,12-13,18H,7-8,10-11,14H2,1-2H3,(H,23,26)
InChIKeyDBQSIQIZVUERQE-UHFFFAOYSA-N
XLogP2.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108557918
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549766
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548465
N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548470
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-oxopentanamide
CID 108558029
2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551105
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
benzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108564276
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555351
2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108564260
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556366
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-methoxybenzamide
CID 108550337

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide (CID 47836638) is N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide is Cc1ccc(OCC(=O)N2CCC(NC(=O)c3cccnc3)CC2)c(C)c1.
What is the InChIKey of N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is DBQSIQIZVUERQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-5-6-19(16(2)12-15)27-14-20(25)24-10-7-18(8-11-24)23-21(26)17-4-3-9-22-13-17/h3-6,9,12-13,18H,7-8,10-11,14H2,1-2H3,(H,23,26).
What are the key properties of N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide?
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 47836638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).