N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide

C18H27N3OS — CID 171327671

IUPACN-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CCC(N3CCSCC3)CC2)c1
InChIInChI=1S/C18H27N3OS/c1-15-3-2-4-16(13-15)19-18(22)14-20-7-5-17(6-8-20)21-9-11-23-12-10-21/h2-4,13,17H,5-12,14H2,1H3,(H,19,22)
InChIKeyIFYYEGFSBRMNDU-UHFFFAOYSA-N
MW333.50 g/mol
LogP2.45
Rot. Bonds4

About N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide

N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide (PubChem CID 171327671) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
PubChem CID171327671
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC NameN-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
SMILESCc1cccc(NC(=O)CN2CCC(N3CCSCC3)CC2)c1
InChIInChI=1S/C18H27N3OS/c1-15-3-2-4-16(13-15)19-18(22)14-20-7-5-17(6-8-20)21-9-11-23-12-10-21/h2-4,13,17H,5-12,14H2,1H3,(H,19,22)
InChIKeyIFYYEGFSBRMNDU-UHFFFAOYSA-N
XLogP2.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63248780
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-(3-methylphenyl)-2-(3-piperazin-1-ylazetidin-1-yl)acetamide
CID 66197537
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(3-methylphenyl)acetamide
CID 155981782
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
2-[4-[2-(3-methylanilino)-2-oxoethyl]thiomorpholin-3-yl]acetic acid
CID 66444586
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 34905400
2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 63338844
N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide
CID 91843408
N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440797

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide (CID 171327671) is N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide is Cc1cccc(NC(=O)CN2CCC(N3CCSCC3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide?
The InChIKey is IFYYEGFSBRMNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS/c1-15-3-2-4-16(13-15)19-18(22)14-20-7-5-17(6-8-20)21-9-11-23-12-10-21/h2-4,13,17H,5-12,14H2,1H3,(H,19,22).
What are the key properties of N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide?
N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide has a molecular weight of 333.50 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 171327671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).