N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide

C20H31N3OS — CID 119942283

IUPACN-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
SMILESCC1CN(Cc2ccccc2)CC(C)C1NC(=O)CC1CSCCN1
InChIInChI=1S/C20H31N3OS/c1-15-11-23(13-17-6-4-3-5-7-17)12-16(2)20(15)22-19(24)10-18-14-25-9-8-21-18/h3-7,15-16,18,20-21H,8-14H2,1-2H3,(H,22,24)
InChIKeyCKTWUGJOKOOZOY-UHFFFAOYSA-N
MW361.56 g/mol
LogP2.35
Rot. Bonds5

About N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide

N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119942283) has the molecular formula C20H31N3OS and a molecular weight of 361.56 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID119942283
Molecular FormulaC20H31N3OS
Molecular Weight361.56 g/mol
Exact Mass361.22
IUPAC NameN-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
SMILESCC1CN(Cc2ccccc2)CC(C)C1NC(=O)CC1CSCCN1
InChIInChI=1S/C20H31N3OS/c1-15-11-23(13-17-6-4-3-5-7-17)12-16(2)20(15)22-19(24)10-18-14-25-9-8-21-18/h3-7,15-16,18,20-21H,8-14H2,1-2H3,(H,22,24)
InChIKeyCKTWUGJOKOOZOY-UHFFFAOYSA-N
XLogP2.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942182
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505
N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide
CID 97092747
N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939490
N-(1-benzylpyrazol-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119937384
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide
CID 119940150
N-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide
CID 97092752
N-(2-benzyl-5-methylpyrazol-3-yl)-2-thiomorpholin-3-ylacetamide
CID 119936075
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940149
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide
CID 119953982
(2S,4S)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 120647087
(4S)-N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 124780262

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide (CID 119942283) is N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide is CC1CN(Cc2ccccc2)CC(C)C1NC(=O)CC1CSCCN1.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is CKTWUGJOKOOZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3OS/c1-15-11-23(13-17-6-4-3-5-7-17)12-16(2)20(15)22-19(24)10-18-14-25-9-8-21-18/h3-7,15-16,18,20-21H,8-14H2,1-2H3,(H,22,24).
What are the key properties of N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 361.56 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119942283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).