N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide

C19H26N4O3S — CID 15998465

IUPACN-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C19H26N4O3S/c1-14-18(15(2)21-20-14)27(25,26)23-11-9-17(10-12-23)19(24)22(3)13-16-7-5-4-6-8-16/h4-8,17H,9-13H2,1-3H3,(H,20,21)
InChIKeyOLQMVZHECNQAKT-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.09
Rot. Bonds5

About N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide

N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide (PubChem CID 15998465) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide
PubChem CID15998465
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C19H26N4O3S/c1-14-18(15(2)21-20-14)27(25,26)23-11-9-17(10-12-23)19(24)22(3)13-16-7-5-4-6-8-16/h4-8,17H,9-13H2,1-3H3,(H,20,21)
InChIKeyOLQMVZHECNQAKT-UHFFFAOYSA-N
XLogP2.09
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide (CID 15998465) is N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is OLQMVZHECNQAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-14-18(15(2)21-20-14)27(25,26)23-11-9-17(10-12-23)19(24)22(3)13-16-7-5-4-6-8-16/h4-8,17H,9-13H2,1-3H3,(H,20,21).
What are the key properties of N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide?
N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 15998465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).