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

C22H27N3O3 — CID 92550202

IUPACN-[(S)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
SMILESCOc1cccc(CC(=O)N2CCC[C@H]([C@H](NC(C)=O)c3ccccn3)C2)c1
InChIInChI=1S/C22H27N3O3/c1-16(26)24-22(20-10-3-4-11-23-20)18-8-6-12-25(15-18)21(27)14-17-7-5-9-19(13-17)28-2/h3-5,7,9-11,13,18,22H,6,8,12,14-15H2,1-2H3,(H,24,26)/t18-,22-/m0/s1
InChIKeyMMMZGHLYRWCWDK-AVRDEDQJSA-N
MW381.48 g/mol
LogP2.75
Rot. Bonds6

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

N-[(S)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide (PubChem CID 92550202) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(S)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide.

Molecular Properties

Compound NameN-[(S)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
PubChem CID92550202
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[(S)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
SMILESCOc1cccc(CC(=O)N2CCC[C@H]([C@H](NC(C)=O)c3ccccn3)C2)c1
InChIInChI=1S/C22H27N3O3/c1-16(26)24-22(20-10-3-4-11-23-20)18-8-6-12-25(15-18)21(27)14-17-7-5-9-19(13-17)28-2/h3-5,7,9-11,13,18,22H,6,8,12,14-15H2,1-2H3,(H,24,26)/t18-,22-/m0/s1
InChIKeyMMMZGHLYRWCWDK-AVRDEDQJSA-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-(2-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92550210
N-[(R)-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92550184
N-[[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 110228739
N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550244
N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215615
N-[[1-(oxolane-2-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 110226772
N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552014
2-(3-methoxyphenyl)-1-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 124991502
N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 110226572
N-[(R)-[1-(3-phenylpropanoyl)piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550234
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;hydrochloride
CID 119464795

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide?
The IUPAC name of N-[(S)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide (CID 92550202) is N-[(S)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide.
What is the SMILES notation for N-[(S)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide?
The canonical SMILES for N-[(S)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide is COc1cccc(CC(=O)N2CCC[C@H]([C@H](NC(C)=O)c3ccccn3)C2)c1.
What is the InChIKey of N-[(S)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide?
The InChIKey is MMMZGHLYRWCWDK-AVRDEDQJSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(26)24-22(20-10-3-4-11-23-20)18-8-6-12-25(15-18)21(27)14-17-7-5-9-19(13-17)28-2/h3-5,7,9-11,13,18,22H,6,8,12,14-15H2,1-2H3,(H,24,26)/t18-,22-/m0/s1.
What are the key properties of N-[(S)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide?
N-[(S)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-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)-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]-pyridin-2-ylmethyl]acetamide is sourced from PubChem (CID 92550202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).