N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide

C19H29N3O2S — CID 91840853

IUPACN-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCC(N2CCSCC2)CC1
InChIInChI=1S/C19H29N3O2S/c1-24-18-5-3-2-4-16(18)14-20-19(23)15-21-8-6-17(7-9-21)22-10-12-25-13-11-22/h2-5,17H,6-15H2,1H3,(H,20,23)
InChIKeyYYJPFBXYNOTQPN-UHFFFAOYSA-N
MW363.53 g/mol
LogP1.82
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide

N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide (PubChem CID 91840853) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
PubChem CID91840853
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCC(N2CCSCC2)CC1
InChIInChI=1S/C19H29N3O2S/c1-24-18-5-3-2-4-16(18)14-20-19(23)15-21-8-6-17(7-9-21)22-10-12-25-13-11-22/h2-5,17H,6-15H2,1H3,(H,20,23)
InChIKeyYYJPFBXYNOTQPN-UHFFFAOYSA-N
XLogP1.82
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963608
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905867
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171704523
N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119927680
ethyl 4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932090
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920219
2-[4-[(3-acetylphenyl)carbamoylamino]piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 3856225
N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide
CID 91829099

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide (CID 91840853) is N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide is COc1ccccc1CNC(=O)CN1CCC(N2CCSCC2)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide?
The InChIKey is YYJPFBXYNOTQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-24-18-5-3-2-4-16(18)14-20-19(23)15-21-8-6-17(7-9-21)22-10-12-25-13-11-22/h2-5,17H,6-15H2,1H3,(H,20,23).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide has a molecular weight of 363.53 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 91840853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).