N-[(4-cyanophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide

C23H25N5O3S — CID 71737649

IUPACN-[(4-cyanophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide
SMILESCCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C23H25N5O3S/c1-2-27(16-18-5-3-17(14-24)4-6-18)23(29)19-9-11-28(12-10-19)32(30,31)21-8-7-20-15-25-26-22(20)13-21/h3-8,13,15,19H,2,9-12,16H2,1H3,(H,25,26)
InChIKeyLJFZMQWWIVAJGA-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.88
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide

N-[(4-cyanophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 71737649) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide
PubChem CID71737649
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC NameN-[(4-cyanophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide
SMILESCCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C23H25N5O3S/c1-2-27(16-18-5-3-17(14-24)4-6-18)23(29)19-9-11-28(12-10-19)32(30,31)21-8-7-20-15-25-26-22(20)13-21/h3-8,13,15,19H,2,9-12,16H2,1H3,(H,25,26)
InChIKeyLJFZMQWWIVAJGA-UHFFFAOYSA-N
XLogP2.88
TPSA110.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide (CID 71737649) is N-[(4-cyanophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide is CCN(Cc1ccc(C#N)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is LJFZMQWWIVAJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-2-27(16-18-5-3-17(14-24)4-6-18)23(29)19-9-11-28(12-10-19)32(30,31)21-8-7-20-15-25-26-22(20)13-21/h3-8,13,15,19H,2,9-12,16H2,1H3,(H,25,26).
What are the key properties of N-[(4-cyanophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide?
N-[(4-cyanophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 71737649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).