1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide

C16H26N4O4S — CID 19585739

IUPAC1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1c(S(=O)(=O)N2CCCC(C(=O)NCC3CCCO3)C2)cnn1C
InChIInChI=1S/C16H26N4O4S/c1-12-15(10-18-19(12)2)25(22,23)20-7-3-5-13(11-20)16(21)17-9-14-6-4-8-24-14/h10,13-14H,3-9,11H2,1-2H3,(H,17,21)
InChIKeySUFMKEXVRQCCBI-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.42
Rot. Bonds5

About 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide

1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 19585739) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID19585739
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
SMILESCc1c(S(=O)(=O)N2CCCC(C(=O)NCC3CCCO3)C2)cnn1C
InChIInChI=1S/C16H26N4O4S/c1-12-15(10-18-19(12)2)25(22,23)20-7-3-5-13(11-20)16(21)17-9-14-6-4-8-24-14/h10,13-14H,3-9,11H2,1-2H3,(H,17,21)
InChIKeySUFMKEXVRQCCBI-UHFFFAOYSA-N
XLogP0.42
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide (CID 19585739) is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide is Cc1c(S(=O)(=O)N2CCCC(C(=O)NCC3CCCO3)C2)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is SUFMKEXVRQCCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-12-15(10-18-19(12)2)25(22,23)20-7-3-5-13(11-20)16(21)17-9-14-6-4-8-24-14/h10,13-14H,3-9,11H2,1-2H3,(H,17,21).
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide?
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 19585739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).