N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide

C20H28N4O2 — CID 72857286

IUPACN-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
SMILESCCCCn1nc(C)cc1NC(=O)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H28N4O2/c1-3-4-12-24-18(15-16(2)22-24)21-19(25)23-13-10-20(26,11-14-23)17-8-6-5-7-9-17/h5-9,15,26H,3-4,10-14H2,1-2H3,(H,21,25)
InChIKeyFQKLYQVPHBACAA-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.51
Rot. Bonds5

About N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide

N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide (PubChem CID 72857286) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
PubChem CID72857286
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
SMILESCCCCn1nc(C)cc1NC(=O)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H28N4O2/c1-3-4-12-24-18(15-16(2)22-24)21-19(25)23-13-10-20(26,11-14-23)17-8-6-5-7-9-17/h5-9,15,26H,3-4,10-14H2,1-2H3,(H,21,25)
InChIKeyFQKLYQVPHBACAA-UHFFFAOYSA-N
XLogP3.51
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide (CID 72857286) is N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide is CCCCn1nc(C)cc1NC(=O)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide?
The InChIKey is FQKLYQVPHBACAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-4-12-24-18(15-16(2)22-24)21-19(25)23-13-10-20(26,11-14-23)17-8-6-5-7-9-17/h5-9,15,26H,3-4,10-14H2,1-2H3,(H,21,25).
What are the key properties of N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide?
N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 72857286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).