N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide

C17H28N4O4S — CID 91906140

IUPACN-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C17H28N4O4S/c1-3-17(22)21(15-6-10-25-11-7-15)14-4-8-20(9-5-14)26(23,24)16-12-19(2)13-18-16/h12-15H,3-11H2,1-2H3
InChIKeyTZPRVRDNWFHPLR-UHFFFAOYSA-N
MW384.50 g/mol
LogP0.99
Rot. Bonds5

About N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide

N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide (PubChem CID 91906140) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide
PubChem CID91906140
Molecular FormulaC17H28N4O4S
Molecular Weight384.50 g/mol
Exact Mass384.18
IUPAC NameN-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C17H28N4O4S/c1-3-17(22)21(15-6-10-25-11-7-15)14-4-8-20(9-5-14)26(23,24)16-12-19(2)13-18-16/h12-15H,3-11H2,1-2H3
InChIKeyTZPRVRDNWFHPLR-UHFFFAOYSA-N
XLogP0.99
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide 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

1-{1-[(1-Methyl-1H-imidazol-4-YL)sulfonyl]piperidin-4-YL}-1-(oxan-4-YL)-3-propylurea
CID 91906188
N-{1-[(1-Methyl-1H-imidazol-4-YL)sulfonyl]piperidin-4-YL}-N-(oxan-4-YL)cyclopropanecarboxamide
CID 91906222
N'-isopropyl-N-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-3-azetanyl}-N-tetrahydro-2H-pyran-4-ylurea
CID 91920597
2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide
CID 89483486
4-{3-Fluoro-1-[(1-methyl-1H-imidazol-4-YL)sulfonyl]piperidine-3-carbonyl}morpholine
CID 132338887
4-{4-Fluoro-1-[(1-methyl-1H-imidazol-4-YL)sulfonyl]piperidine-4-carbonyl}morpholine
CID 132443809
1-(4-Methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone
CID 20949491
1-(4-cyclohexylpiperazin-1-yl)-2-[4-(piperidine-1-sulfonyl)-1H-imidazol-1-yl]ethan-1-one
CID 20949499
1-{[1,4'-bipiperidin]-1'-yl}-2-[4-(piperidine-1-sulfonyl)-1H-imidazol-1-yl]ethan-1-one
CID 20949527
1-(Piperidin-1-YL)-2-[4-(piperidine-1-sulfonyl)-1H-imidazol-1-YL]ethan-1-one
CID 20949564
1-Morpholin-4-yl-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone
CID 20949565
2-{4-[(4-Methylpiperidin-1-YL)sulfonyl]-1H-imidazol-1-YL}-1-(piperidin-1-YL)ethan-1-one
CID 20949715

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
The IUPAC name of N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide (CID 91906140) is N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
The canonical SMILES for N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide is CCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2cn(C)cn2)CC1.
What is the InChIKey of N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
The InChIKey is TZPRVRDNWFHPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-3-17(22)21(15-6-10-25-11-7-15)14-4-8-20(9-5-14)26(23,24)16-12-19(2)13-18-16/h12-15H,3-11H2,1-2H3.
What are the key properties of N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide?
N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide has a molecular weight of 384.50 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 91906140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).