N-ethyl-N-[(1R)-1-phenylethyl]-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxamide

C25H30N4O3S — CID 71737622

IUPACN-ethyl-N-[(1R)-1-phenylethyl]-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1)[C@H](C)c1ccccc1
InChIInChI=1S/C25H30N4O3S/c1-3-28(20(2)21-8-5-4-6-9-21)25(30)22-14-18-27(19-15-22)33(31,32)24-12-10-23(11-13-24)29-17-7-16-26-29/h4-13,16-17,20,22H,3,14-15,18-19H2,1-2H3/t20-/m1/s1
InChIKeyKOLVLKZNHJUOBK-HXUWFJFHSA-N
MW466.61 g/mol
LogP3.88
Rot. Bonds7

About N-ethyl-N-[(1R)-1-phenylethyl]-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxamide

N-ethyl-N-[(1R)-1-phenylethyl]-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 71737622) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is N-ethyl-N-[(1R)-1-phenylethyl]-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1R)-1-phenylethyl]-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID71737622
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC NameN-ethyl-N-[(1R)-1-phenylethyl]-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1)[C@H](C)c1ccccc1
InChIInChI=1S/C25H30N4O3S/c1-3-28(20(2)21-8-5-4-6-9-21)25(30)22-14-18-27(19-15-22)33(31,32)24-12-10-23(11-13-24)29-17-7-16-26-29/h4-13,16-17,20,22H,3,14-15,18-19H2,1-2H3/t20-/m1/s1
InChIKeyKOLVLKZNHJUOBK-HXUWFJFHSA-N
XLogP3.88
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1R)-1-phenylethyl]-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-[(1R)-1-phenylethyl]-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxamide (CID 71737622) is N-ethyl-N-[(1R)-1-phenylethyl]-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1R)-1-phenylethyl]-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(1R)-1-phenylethyl]-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxamide is CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1)[C@H](C)c1ccccc1.
What is the InChIKey of N-ethyl-N-[(1R)-1-phenylethyl]-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KOLVLKZNHJUOBK-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-3-28(20(2)21-8-5-4-6-9-21)25(30)22-14-18-27(19-15-22)33(31,32)24-12-10-23(11-13-24)29-17-7-16-26-29/h4-13,16-17,20,22H,3,14-15,18-19H2,1-2H3/t20-/m1/s1.
What are the key properties of N-ethyl-N-[(1R)-1-phenylethyl]-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxamide?
N-ethyl-N-[(1R)-1-phenylethyl]-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1R)-1-phenylethyl]-1-(4-pyrazol-1-ylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 71737622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).