2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide

C18H29N3OS — CID 60605574

IUPAC2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
SMILESCN(C(=O)CSC(C)(C)C)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C18H29N3OS/c1-18(2,3)23-14-17(22)20(4)16-7-11-21(12-8-16)13-15-5-9-19-10-6-15/h5-6,9-10,16H,7-8,11-14H2,1-4H3
InChIKeyOUGYMCBEGFRHNG-UHFFFAOYSA-N
MW335.52 g/mol
LogP3.04
Rot. Bonds5

About 2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide

2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 60605574) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
PubChem CID60605574
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
SMILESCN(C(=O)CSC(C)(C)C)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C18H29N3OS/c1-18(2,3)23-14-17(22)20(4)16-7-11-21(12-8-16)13-15-5-9-19-10-6-15/h5-6,9-10,16H,7-8,11-14H2,1-4H3
InChIKeyOUGYMCBEGFRHNG-UHFFFAOYSA-N
XLogP3.04
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 60605546
(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 95150991
N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 46054712
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 171328091
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
2-methoxy-2-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 136524347
4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide
CID 51102733
N-cyclohexyl-N-methyl-2-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 42856464
2-(4-acetamidophenyl)-N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 70693583
N-methyl-N-piperidin-4-yl-2-pyridin-4-ylacetamide
CID 43602089
N-[(4S,5S)-5-hydroxy-1-(pyridin-4-ylmethyl)azepan-4-yl]-2-methylpropanamide
CID 110126651

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide (CID 60605574) is 2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide is CN(C(=O)CSC(C)(C)C)C1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is OUGYMCBEGFRHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-18(2,3)23-14-17(22)20(4)16-7-11-21(12-8-16)13-15-5-9-19-10-6-15/h5-6,9-10,16H,7-8,11-14H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 335.52 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 60605574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).