4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide

C12H20N4O3S — CID 70746595

IUPAC4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C12H20N4O3S/c13-20(18,19)9-1-2-11(17)16-7-3-10(4-8-16)12-14-5-6-15-12/h5-6,10H,1-4,7-9H2,(H,14,15)(H2,13,18,19)
InChIKeyRRJDYFPDHRHQQD-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.18
Rot. Bonds5

About 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide

4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide (PubChem CID 70746595) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide.

Molecular Properties

Compound Name4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide
PubChem CID70746595
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C12H20N4O3S/c13-20(18,19)9-1-2-11(17)16-7-3-10(4-8-16)12-14-5-6-15-12/h5-6,10H,1-4,7-9H2,(H,14,15)(H2,13,18,19)
InChIKeyRRJDYFPDHRHQQD-UHFFFAOYSA-N
XLogP0.18
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-{[1-(1H-imidazol-4-ylsulfonyl)piperidin-4-yl]carbonyl}-4-methylpiperazine
CID 3241121
N-butyl-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3238989
1-(1H-imidazol-4-ylsulfonyl)-4-[(4-methylpiperidin-1-yl)carbonyl]piperidine
CID 3241075
3-(1H-imidazol-2-yl)-1-[3-(methylthio)propanoyl]piperidine
CID 70723520
N-[3-oxo-3-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propyl]methanesulfonamide
CID 72143157
2-(2-isopropyl-1H-imidazol-1-yl)-N-[1-(methylsulfonyl)-4-piperidinyl]propanamide
CID 72891813
N-(2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 91628970
4-[3-(1H-imidazol-2-yl)-1-piperidinyl]-4-oxo-1-butanesulfonamide
CID 70770198
4-(1H-imidazol-2-yl)-1-(pyrrolidin-3-ylacetyl)piperidine
CID 77094981
1-ethylsulfonyl-3-(1H-imidazol-2-yl)piperidine
CID 84586576
1-butylsulfonyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]piperidine-4-carboxamide
CID 56412956
1-butylsulfonyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
CID 56451277

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The IUPAC name of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide (CID 70746595) is 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide.
What is the SMILES notation for 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The canonical SMILES for 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide is NS(=O)(=O)CCCC(=O)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The InChIKey is RRJDYFPDHRHQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c13-20(18,19)9-1-2-11(17)16-7-3-10(4-8-16)12-14-5-6-15-12/h5-6,10H,1-4,7-9H2,(H,14,15)(H2,13,18,19).
What are the key properties of 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide?
4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-oxobutane-1-sulfonamide is sourced from PubChem (CID 70746595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).