N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide

C22H27N3O3 — CID 108557843

IUPACN-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCCCc1ccc(OCC(=O)N2CCC(NC(=O)c3ccccn3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-2-5-17-7-9-19(10-8-17)28-16-21(26)25-14-11-18(12-15-25)24-22(27)20-6-3-4-13-23-20/h3-4,6-10,13,18H,2,5,11-12,14-16H2,1H3,(H,24,27)
InChIKeyKZZQUDYDKZBBFG-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.83
Rot. Bonds7

About N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide

N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 108557843) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID108557843
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCCCc1ccc(OCC(=O)N2CCC(NC(=O)c3ccccn3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-2-5-17-7-9-19(10-8-17)28-16-21(26)25-14-11-18(12-15-25)24-22(27)20-6-3-4-13-23-20/h3-4,6-10,13,18H,2,5,11-12,14-16H2,1H3,(H,24,27)
InChIKeyKZZQUDYDKZBBFG-UHFFFAOYSA-N
XLogP2.83
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548465
methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565166
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555909
5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide
CID 108551728
N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide
CID 108550430
4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108558056
2-(2-methoxyphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108556685
2-(2-ethylphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557069
[3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548532
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557840
N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557848
N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553098

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide (CID 108557843) is N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide is CCCc1ccc(OCC(=O)N2CCC(NC(=O)c3ccccn3)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is KZZQUDYDKZBBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-5-17-7-9-19(10-8-17)28-16-21(26)25-14-11-18(12-15-25)24-22(27)20-6-3-4-13-23-20/h3-4,6-10,13,18H,2,5,11-12,14-16H2,1H3,(H,24,27).
What are the key properties of N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide?
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 108557843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).