N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

C22H27N3O3 — CID 92550244

IUPACN-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESCOc1ccc(CC(=O)N2CCC([C@H](NC(C)=O)c3ccccn3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-16(26)24-22(20-5-3-4-12-23-20)18-10-13-25(14-11-18)21(27)15-17-6-8-19(28-2)9-7-17/h3-9,12,18,22H,10-11,13-15H2,1-2H3,(H,24,26)/t22-/m0/s1
InChIKeyGDGHTHQXUWNEBU-QFIPXVFZSA-N
MW381.48 g/mol
LogP2.75
Rot. Bonds6

About N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (PubChem CID 92550244) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.

Molecular Properties

Compound NameN-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
PubChem CID92550244
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESCOc1ccc(CC(=O)N2CCC([C@H](NC(C)=O)c3ccccn3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-16(26)24-22(20-5-3-4-12-23-20)18-10-13-25(14-11-18)21(27)15-17-6-8-19(28-2)9-7-17/h3-9,12,18,22H,10-11,13-15H2,1-2H3,(H,24,26)/t22-/m0/s1
InChIKeyGDGHTHQXUWNEBU-QFIPXVFZSA-N
XLogP2.75
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550248
N-[(S)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92550202
N-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550234
1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126473165
N-[(R)-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92550184
N-[(S)-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92550210
N-[pyridin-2-yl-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 110226608
N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 110226572
2-cyclopentyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228643
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 110241906
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide
CID 110241919
N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215615

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The IUPAC name of N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (CID 92550244) is N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.
What is the SMILES notation for N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The canonical SMILES for N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is COc1ccc(CC(=O)N2CCC([C@H](NC(C)=O)c3ccccn3)CC2)cc1.
What is the InChIKey of N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The InChIKey is GDGHTHQXUWNEBU-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(26)24-22(20-5-3-4-12-23-20)18-10-13-25(14-11-18)21(27)15-17-6-8-19(28-2)9-7-17/h3-9,12,18,22H,10-11,13-15H2,1-2H3,(H,24,26)/t22-/m0/s1.
What are the key properties of N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is sourced from PubChem (CID 92550244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).