N-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

C22H27N3O3 — CID 92550248

IUPACN-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESCOc1cccc(CC(=O)N2CCC([C@H](NC(C)=O)c3ccccn3)CC2)c1
InChIInChI=1S/C22H27N3O3/c1-16(26)24-22(20-8-3-4-11-23-20)18-9-12-25(13-10-18)21(27)15-17-6-5-7-19(14-17)28-2/h3-8,11,14,18,22H,9-10,12-13,15H2,1-2H3,(H,24,26)/t22-/m0/s1
InChIKeyGQTMQOGARFLDRQ-QFIPXVFZSA-N
MW381.48 g/mol
LogP2.75
Rot. Bonds6

About N-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

N-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (PubChem CID 92550248) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.

Molecular Properties

Compound NameN-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
PubChem CID92550248
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESCOc1cccc(CC(=O)N2CCC([C@H](NC(C)=O)c3ccccn3)CC2)c1
InChIInChI=1S/C22H27N3O3/c1-16(26)24-22(20-8-3-4-11-23-20)18-9-12-25(13-10-18)21(27)15-17-6-5-7-19(14-17)28-2/h3-8,11,14,18,22H,9-10,12-13,15H2,1-2H3,(H,24,26)/t22-/m0/s1
InChIKeyGQTMQOGARFLDRQ-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)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92550202
N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550244
N-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550234
N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552014
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 106839428
N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 110228739
N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 110226572
N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]thiophene-2-carboxamide
CID 110228619
3-fluoro-N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
CID 110228651
N-[(S)-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92550210
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
N-[(R)-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92550184

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The IUPAC name of N-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (CID 92550248) is N-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.
What is the SMILES notation for N-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The canonical SMILES for N-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is COc1cccc(CC(=O)N2CCC([C@H](NC(C)=O)c3ccccn3)CC2)c1.
What is the InChIKey of N-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The InChIKey is GQTMQOGARFLDRQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(26)24-22(20-8-3-4-11-23-20)18-9-12-25(13-10-18)21(27)15-17-6-5-7-19(14-17)28-2/h3-8,11,14,18,22H,9-10,12-13,15H2,1-2H3,(H,24,26)/t22-/m0/s1.
What are the key properties of N-[(S)-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
N-[(S)-[1-[2-(3-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-(3-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is sourced from PubChem (CID 92550248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).