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

C21H25N3O3 — CID 108557840

IUPACN-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCc1cccc(OCC(=O)N2CCC(NC(=O)c3ccccn3)CC2)c1C
InChIInChI=1S/C21H25N3O3/c1-15-6-5-8-19(16(15)2)27-14-20(25)24-12-9-17(10-13-24)23-21(26)18-7-3-4-11-22-18/h3-8,11,17H,9-10,12-14H2,1-2H3,(H,23,26)
InChIKeyYPVRZOKECJZWHS-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.50
Rot. Bonds5

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

N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 108557840) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID108557840
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCc1cccc(OCC(=O)N2CCC(NC(=O)c3ccccn3)CC2)c1C
InChIInChI=1S/C21H25N3O3/c1-15-6-5-8-19(16(15)2)27-14-20(25)24-12-9-17(10-13-24)23-21(26)18-7-3-4-11-22-18/h3-8,11,17H,9-10,12-14H2,1-2H3,(H,23,26)
InChIKeyYPVRZOKECJZWHS-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

N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549210
4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550145
2-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108565064
2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554594
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551499
ethyl 4-oxo-4-[4-(pyridine-2-carbonylamino)piperidin-1-yl]butanoate
CID 108562777
2-chloroethyl N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565062
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557843
1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 82042517
2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 934031
2-(2,3-dimethylphenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 138623960
N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 108560809

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide (CID 108557840) is N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide is Cc1cccc(OCC(=O)N2CCC(NC(=O)c3ccccn3)CC2)c1C.
What is the InChIKey of N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is YPVRZOKECJZWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-6-5-8-19(16(15)2)27-14-20(25)24-12-9-17(10-13-24)23-21(26)18-7-3-4-11-22-18/h3-8,11,17H,9-10,12-14H2,1-2H3,(H,23,26).
What are the key properties of N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide?
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-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-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 108557840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).