N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

C15H24N4O4S — CID 71808500

IUPACN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCn1nc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c2c1CCOC2
InChIInChI=1S/C15H24N4O4S/c1-18-14-5-8-23-10-12(14)13(17-18)9-16-15(20)11-3-6-19(7-4-11)24(2,21)22/h11H,3-10H2,1-2H3,(H,16,20)
InChIKeyQACUHGOEZDCBTQ-UHFFFAOYSA-N
MW356.45 g/mol
LogP-0.22
Rot. Bonds4

About N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 71808500) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID71808500
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC NameN-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCn1nc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c2c1CCOC2
InChIInChI=1S/C15H24N4O4S/c1-18-14-5-8-23-10-12(14)13(17-18)9-16-15(20)11-3-6-19(7-4-11)24(2,21)22/h11H,3-10H2,1-2H3,(H,16,20)
InChIKeyQACUHGOEZDCBTQ-UHFFFAOYSA-N
XLogP-0.22
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 71808500) is N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is Cn1nc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c2c1CCOC2.
What is the InChIKey of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is QACUHGOEZDCBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-18-14-5-8-23-10-12(14)13(17-18)9-16-15(20)11-3-6-19(7-4-11)24(2,21)22/h11H,3-10H2,1-2H3,(H,16,20).
What are the key properties of N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 356.45 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 71808500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).