4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde

C16H24N4O5S — CID 110335350

IUPAC4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C16H24N4O5S/c1-12-15(13(2)25-17-12)26(23,24)20-5-3-14(4-6-20)16(22)19-9-7-18(11-21)8-10-19/h11,14H,3-10H2,1-2H3
InChIKeyWZJDEOGMTFTHNK-UHFFFAOYSA-N
MW384.46 g/mol
LogP-0.01
Rot. Bonds4

About 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde

4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde (PubChem CID 110335350) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
PubChem CID110335350
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Name4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C16H24N4O5S/c1-12-15(13(2)25-17-12)26(23,24)20-5-3-14(4-6-20)16(22)19-9-7-18(11-21)8-10-19/h11,14H,3-10H2,1-2H3
InChIKeyWZJDEOGMTFTHNK-UHFFFAOYSA-N
XLogP-0.01
TPSA104.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 53118801
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanone
CID 3240304
cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone
CID 55566653
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 3238897
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 42928364
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487512
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120618871
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975076
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55568120
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde (CID 110335350) is 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C=O)CC2)CC1.
What is the InChIKey of 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is WZJDEOGMTFTHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S/c1-12-15(13(2)25-17-12)26(23,24)20-5-3-14(4-6-20)16(22)19-9-7-18(11-21)8-10-19/h11,14H,3-10H2,1-2H3.
What are the key properties of 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde?
4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 384.46 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 110335350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).