N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide

C24H28N4O2 — CID 91887944

IUPACN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide
SMILESCOc1ccc(-c2cc(N3CCCC(NC(=O)c4cc(C)cc(C)c4)C3)n[nH]2)cc1
InChIInChI=1S/C24H28N4O2/c1-16-11-17(2)13-19(12-16)24(29)25-20-5-4-10-28(15-20)23-14-22(26-27-23)18-6-8-21(30-3)9-7-18/h6-9,11-14,20H,4-5,10,15H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyTVZBKXAYUODGNX-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.10
Rot. Bonds5

About N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide

N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide (PubChem CID 91887944) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide
PubChem CID91887944
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide
SMILESCOc1ccc(-c2cc(N3CCCC(NC(=O)c4cc(C)cc(C)c4)C3)n[nH]2)cc1
InChIInChI=1S/C24H28N4O2/c1-16-11-17(2)13-19(12-16)24(29)25-20-5-4-10-28(15-20)23-14-22(26-27-23)18-6-8-21(30-3)9-7-18/h6-9,11-14,20H,4-5,10,15H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyTVZBKXAYUODGNX-UHFFFAOYSA-N
XLogP4.10
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide?
The IUPAC name of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide (CID 91887944) is N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide is COc1ccc(-c2cc(N3CCCC(NC(=O)c4cc(C)cc(C)c4)C3)n[nH]2)cc1.
What is the InChIKey of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide?
The InChIKey is TVZBKXAYUODGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-16-11-17(2)13-19(12-16)24(29)25-20-5-4-10-28(15-20)23-14-22(26-27-23)18-6-8-21(30-3)9-7-18/h6-9,11-14,20H,4-5,10,15H2,1-3H3,(H,25,29)(H,26,27).
What are the key properties of N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide?
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide has a molecular weight of 404.51 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide is sourced from PubChem (CID 91887944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).