N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide

C22H30N4O3S — CID 5309777

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C22H30N4O3S/c1-15-21(16(2)25(3)24-15)30(28,29)26-13-11-18(12-14-26)22(27)23-20-10-6-8-17-7-4-5-9-19(17)20/h4-5,7,9,18,20H,6,8,10-14H2,1-3H3,(H,23,27)
InChIKeyUWYOPWDMFYQLFQ-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.63
Rot. Bonds4

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 5309777) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID5309777
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C22H30N4O3S/c1-15-21(16(2)25(3)24-15)30(28,29)26-13-11-18(12-14-26)22(27)23-20-10-6-8-17-7-4-5-9-19(17)20/h4-5,7,9,18,20H,6,8,10-14H2,1-3H3,(H,23,27)
InChIKeyUWYOPWDMFYQLFQ-UHFFFAOYSA-N
XLogP2.63
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 5309777) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCc3ccccc32)CC1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is UWYOPWDMFYQLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-15-21(16(2)25(3)24-15)30(28,29)26-13-11-18(12-14-26)22(27)23-20-10-6-8-17-7-4-5-9-19(17)20/h4-5,7,9,18,20H,6,8,10-14H2,1-3H3,(H,23,27).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5309777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).