N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

C15H24N4O3S — CID 71808602

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCn1nc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1C1CC1
InChIInChI=1S/C15H24N4O3S/c1-18-14(11-3-4-11)9-13(17-18)10-16-15(20)12-5-7-19(8-6-12)23(2,21)22/h9,11-12H,3-8,10H2,1-2H3,(H,16,20)
InChIKeyVFKUVNAHSQAAJI-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.59
Rot. Bonds5

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 71808602) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID71808602
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCn1nc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1C1CC1
InChIInChI=1S/C15H24N4O3S/c1-18-14(11-3-4-11)9-13(17-18)10-16-15(20)12-5-7-19(8-6-12)23(2,21)22/h9,11-12H,3-8,10H2,1-2H3,(H,16,20)
InChIKeyVFKUVNAHSQAAJI-UHFFFAOYSA-N
XLogP0.59
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 71808602) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is Cn1nc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is VFKUVNAHSQAAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-18-14(11-3-4-11)9-13(17-18)10-16-15(20)12-5-7-19(8-6-12)23(2,21)22/h9,11-12H,3-8,10H2,1-2H3,(H,16,20).
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 71808602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).