N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

C25H28N4O3 — CID 25487941

IUPACN-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C25H28N4O3/c1-18(30)20-7-5-6-19(16-20)17-28-14-11-21(12-15-28)29-24(10-13-26-29)27-25(31)22-8-3-4-9-23(22)32-2/h3-10,13,16,21H,11-12,14-15,17H2,1-2H3,(H,27,31)
InChIKeyDAVLPBGQXFSRLX-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.18
Rot. Bonds7

About N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 25487941) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID25487941
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C25H28N4O3/c1-18(30)20-7-5-6-19(16-20)17-28-14-11-21(12-15-28)29-24(10-13-26-29)27-25(31)22-8-3-4-9-23(22)32-2/h3-10,13,16,21H,11-12,14-15,17H2,1-2H3,(H,27,31)
InChIKeyDAVLPBGQXFSRLX-UHFFFAOYSA-N
XLogP4.18
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
CID 25450557
2-methoxy-N-[2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24793895
2-methoxy-N-[2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25372817
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 24790682
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 24791036
2-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24817787
2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 29258956
2-chloro-N-[2-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42244340
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
CID 42302028
N-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
CID 56745952
N-[2-[1-[(2S)-1-amino-1-oxopropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
CID 95207495
N-[2-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
CID 25452856

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (CID 25487941) is N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(Cc2cccc(C(C)=O)c2)CC1.
What is the InChIKey of N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is DAVLPBGQXFSRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-18(30)20-7-5-6-19(16-20)17-28-14-11-21(12-15-28)29-24(10-13-26-29)27-25(31)22-8-3-4-9-23(22)32-2/h3-10,13,16,21H,11-12,14-15,17H2,1-2H3,(H,27,31).
What are the key properties of N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 432.52 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 25487941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).