4-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

C16H27N5O3S — CID 91921407

IUPAC4-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCCn1cc(S(=O)(=O)N2CCC(C3CCN(C(=O)NC)CC3)C2)cn1
InChIInChI=1S/C16H27N5O3S/c1-3-20-12-15(10-18-20)25(23,24)21-9-6-14(11-21)13-4-7-19(8-5-13)16(22)17-2/h10,12-14H,3-9,11H2,1-2H3,(H,17,22)
InChIKeyNXBVBRHJVLOMPV-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.96
Rot. Bonds4

About 4-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide

4-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 91921407) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
PubChem CID91921407
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC Name4-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
SMILESCCn1cc(S(=O)(=O)N2CCC(C3CCN(C(=O)NC)CC3)C2)cn1
InChIInChI=1S/C16H27N5O3S/c1-3-20-12-15(10-18-20)25(23,24)21-9-6-14(11-21)13-4-7-19(8-5-13)16(22)17-2/h10,12-14H,3-9,11H2,1-2H3,(H,17,22)
InChIKeyNXBVBRHJVLOMPV-UHFFFAOYSA-N
XLogP0.96
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide (CID 91921407) is 4-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is CCn1cc(S(=O)(=O)N2CCC(C3CCN(C(=O)NC)CC3)C2)cn1.
What is the InChIKey of 4-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is NXBVBRHJVLOMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-3-20-12-15(10-18-20)25(23,24)21-9-6-14(11-21)13-4-7-19(8-5-13)16(22)17-2/h10,12-14H,3-9,11H2,1-2H3,(H,17,22).
What are the key properties of 4-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide?
4-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 91921407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).