N-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide

C23H24N4O3 — CID 53149314

IUPACN-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESCc1cccc(-n2cc(C3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)cn2)c1
InChIInChI=1S/C23H24N4O3/c1-16-3-2-4-20(11-16)27-14-18(13-24-27)17-7-9-26(10-8-17)23(28)25-19-5-6-21-22(12-19)30-15-29-21/h2-6,11-14,17H,7-10,15H2,1H3,(H,25,28)
InChIKeyPHUOQGJBHVMDTK-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.32
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide (PubChem CID 53149314) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide
PubChem CID53149314
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESCc1cccc(-n2cc(C3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)cn2)c1
InChIInChI=1S/C23H24N4O3/c1-16-3-2-4-20(11-16)27-14-18(13-24-27)17-7-9-26(10-8-17)23(28)25-19-5-6-21-22(12-19)30-15-29-21/h2-6,11-14,17H,7-10,15H2,1H3,(H,25,28)
InChIKeyPHUOQGJBHVMDTK-UHFFFAOYSA-N
XLogP4.32
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 83277174
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide
CID 113114155
N-(1,3-benzodioxol-5-yl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 970148
N-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4880571
N-(1,3-benzodioxol-5-yl)-3-(2,3-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 72837983
N-(1,3-benzodioxol-5-yl)-4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 121115047
N-(1,3-benzodioxol-5-yl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111536
1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150450
N-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769336
(3S)-N-(4-acetyl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124568170
(2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide
CID 97105209

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide (CID 53149314) is N-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide is Cc1cccc(-n2cc(C3CCN(C(=O)Nc4ccc5c(c4)OCO5)CC3)cn2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide?
The InChIKey is PHUOQGJBHVMDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16-3-2-4-20(11-16)27-14-18(13-24-27)17-7-9-26(10-8-17)23(28)25-19-5-6-21-22(12-19)30-15-29-21/h2-6,11-14,17H,7-10,15H2,1H3,(H,25,28).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-[1-(3-methylphenyl)pyrazol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 53149314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).