N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide

C17H27N3O3S — CID 133360362

IUPACN-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C1
InChIInChI=1S/C17H27N3O3S/c1-13(21)18-10-14-6-5-9-20(12-14)15-7-8-16(19-11-15)24(22,23)17(2,3)4/h7-8,11,14H,5-6,9-10,12H2,1-4H3,(H,18,21)
InChIKeyOTOGBFVVJNNIOO-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.01
Rot. Bonds4

About N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide

N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide (PubChem CID 133360362) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide
PubChem CID133360362
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CCCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C1
InChIInChI=1S/C17H27N3O3S/c1-13(21)18-10-14-6-5-9-20(12-14)15-7-8-16(19-11-15)24(22,23)17(2,3)4/h7-8,11,14H,5-6,9-10,12H2,1-4H3,(H,18,21)
InChIKeyOTOGBFVVJNNIOO-UHFFFAOYSA-N
XLogP2.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 96534194
N-[[1-(4-nitrophenyl)piperidin-3-yl]methyl]acetamide
CID 133274968
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 39754180
tert-butyl N-[[1-(6-cyano-3-pyridinyl)piperidin-3-yl]methyl]carbamate
CID 91646940
2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine
CID 133359969
N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736440
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640530
N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide
CID 133360369
N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide
CID 133274899
[4-(6-tert-butylsulfonyl-3-pyridinyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 133373545
tert-butyl N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]carbamate
CID 66805430
1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol
CID 133410682

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide (CID 133360362) is N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide is CC(=O)NCC1CCCN(c2ccc(S(=O)(=O)C(C)(C)C)nc2)C1.
What is the InChIKey of N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide?
The InChIKey is OTOGBFVVJNNIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13(21)18-10-14-6-5-9-20(12-14)15-7-8-16(19-11-15)24(22,23)17(2,3)4/h7-8,11,14H,5-6,9-10,12H2,1-4H3,(H,18,21).
What are the key properties of N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide?
N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide has a molecular weight of 353.49 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 133360362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).