N-[(2R,6S)-2,6-dimethylpiperidin-4-yl]-3-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]benzamide

C26H28N6O3 — CID 138584728

IUPACN-[(2R,6S)-2,6-dimethylpiperidin-4-yl]-3-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]benzamide
SMILESCc1nnc(-c2cccc(-n3ccc(N(C(=O)c4cccc(O)c4)C4C[C@@H](C)N[C@@H](C)C4)n3)c2)o1
InChIInChI=1S/C26H28N6O3/c1-16-12-22(13-17(2)27-16)32(26(34)20-7-5-9-23(33)15-20)24-10-11-31(30-24)21-8-4-6-19(14-21)25-29-28-18(3)35-25/h4-11,14-17,22,27,33H,12-13H2,1-3H3/t16-,17+,22?
InChIKeyCXOSALDTPGELJD-AQKKSAQBSA-N
MW472.55 g/mol
LogP4.11
Rot. Bonds5

About N-[(2R,6S)-2,6-dimethylpiperidin-4-yl]-3-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]benzamide

N-[(2R,6S)-2,6-dimethylpiperidin-4-yl]-3-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]benzamide (PubChem CID 138584728) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[(2R,6S)-2,6-dimethylpiperidin-4-yl]-3-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2R,6S)-2,6-dimethylpiperidin-4-yl]-3-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]benzamide
PubChem CID138584728
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC NameN-[(2R,6S)-2,6-dimethylpiperidin-4-yl]-3-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]benzamide
SMILESCc1nnc(-c2cccc(-n3ccc(N(C(=O)c4cccc(O)c4)C4C[C@@H](C)N[C@@H](C)C4)n3)c2)o1
InChIInChI=1S/C26H28N6O3/c1-16-12-22(13-17(2)27-16)32(26(34)20-7-5-9-23(33)15-20)24-10-11-31(30-24)21-8-4-6-19(14-21)25-29-28-18(3)35-25/h4-11,14-17,22,27,33H,12-13H2,1-3H3/t16-,17+,22?
InChIKeyCXOSALDTPGELJD-AQKKSAQBSA-N
XLogP4.11
TPSA109.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(2R,6S)-2,6-dimethylpiperidin-4-yl]-3-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,6S)-2,6-dimethylpiperidin-4-yl]-3-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]benzamide?
The IUPAC name of N-[(2R,6S)-2,6-dimethylpiperidin-4-yl]-3-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]benzamide (CID 138584728) is N-[(2R,6S)-2,6-dimethylpiperidin-4-yl]-3-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[(2R,6S)-2,6-dimethylpiperidin-4-yl]-3-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]benzamide?
The canonical SMILES for N-[(2R,6S)-2,6-dimethylpiperidin-4-yl]-3-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]benzamide is Cc1nnc(-c2cccc(-n3ccc(N(C(=O)c4cccc(O)c4)C4C[C@@H](C)N[C@@H](C)C4)n3)c2)o1.
What is the InChIKey of N-[(2R,6S)-2,6-dimethylpiperidin-4-yl]-3-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]benzamide?
The InChIKey is CXOSALDTPGELJD-AQKKSAQBSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-16-12-22(13-17(2)27-16)32(26(34)20-7-5-9-23(33)15-20)24-10-11-31(30-24)21-8-4-6-19(14-21)25-29-28-18(3)35-25/h4-11,14-17,22,27,33H,12-13H2,1-3H3/t16-,17+,22?.
What are the key properties of N-[(2R,6S)-2,6-dimethylpiperidin-4-yl]-3-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]benzamide?
N-[(2R,6S)-2,6-dimethylpiperidin-4-yl]-3-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]benzamide has a molecular weight of 472.55 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,6S)-2,6-dimethylpiperidin-4-yl]-3-hydroxy-N-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 138584728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).