methyl 5-[4-(1-propanoylpiperidine-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate

C19H27N3O6S2 — CID 55965649

IUPACmethyl 5-[4-(1-propanoylpiperidine-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate
SMILESCCC(=O)N1CCCCC1C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1
InChIInChI=1S/C19H27N3O6S2/c1-3-16(23)22-7-5-4-6-15(22)18(24)20-8-10-21(11-9-20)30(26,27)17-12-14(13-29-17)19(25)28-2/h12-13,15H,3-11H2,1-2H3
InChIKeyUZQZNXDPVZYHBE-UHFFFAOYSA-N
MW457.57 g/mol
LogP1.16
Rot. Bonds5

About methyl 5-[4-(1-propanoylpiperidine-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate

methyl 5-[4-(1-propanoylpiperidine-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate (PubChem CID 55965649) has the molecular formula C19H27N3O6S2 and a molecular weight of 457.57 g/mol. Its IUPAC name is methyl 5-[4-(1-propanoylpiperidine-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-(1-propanoylpiperidine-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate
PubChem CID55965649
Molecular FormulaC19H27N3O6S2
Molecular Weight457.57 g/mol
Exact Mass457.13
IUPAC Namemethyl 5-[4-(1-propanoylpiperidine-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate
SMILESCCC(=O)N1CCCCC1C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1
InChIInChI=1S/C19H27N3O6S2/c1-3-16(23)22-7-5-4-6-15(22)18(24)20-8-10-21(11-9-20)30(26,27)17-12-14(13-29-17)19(25)28-2/h12-13,15H,3-11H2,1-2H3
InChIKeyUZQZNXDPVZYHBE-UHFFFAOYSA-N
XLogP1.16
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone
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5-[4-(2-propoxyacetyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
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methyl 5-[4-(4-phenyloxane-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(1-propanoylpiperidine-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate?
The IUPAC name of methyl 5-[4-(1-propanoylpiperidine-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate (CID 55965649) is methyl 5-[4-(1-propanoylpiperidine-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate.
What is the SMILES notation for methyl 5-[4-(1-propanoylpiperidine-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate?
The canonical SMILES for methyl 5-[4-(1-propanoylpiperidine-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate is CCC(=O)N1CCCCC1C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1.
What is the InChIKey of methyl 5-[4-(1-propanoylpiperidine-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate?
The InChIKey is UZQZNXDPVZYHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O6S2/c1-3-16(23)22-7-5-4-6-15(22)18(24)20-8-10-21(11-9-20)30(26,27)17-12-14(13-29-17)19(25)28-2/h12-13,15H,3-11H2,1-2H3.
What are the key properties of methyl 5-[4-(1-propanoylpiperidine-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate?
methyl 5-[4-(1-propanoylpiperidine-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate has a molecular weight of 457.57 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(1-propanoylpiperidine-2-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylate is sourced from PubChem (CID 55965649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).