N-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide

C28H27N5O3 — CID 38646128

IUPACN-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1
InChIInChI=1S/C28H27N5O3/c1-36-25-12-6-5-11-24(25)30-27(34)20-13-16-32(17-14-20)28(35)23-19-33(22-9-3-2-4-10-22)31-26(23)21-8-7-15-29-18-21/h2-12,15,18-20H,13-14,16-17H2,1H3,(H,30,34)
InChIKeyYVBCHHJOSNBWGB-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.43
Rot. Bonds6

About N-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide

N-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide (PubChem CID 38646128) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
PubChem CID38646128
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC NameN-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1
InChIInChI=1S/C28H27N5O3/c1-36-25-12-6-5-11-24(25)30-27(34)20-13-16-32(17-14-20)28(35)23-19-33(22-9-3-2-4-10-22)31-26(23)21-8-7-15-29-18-21/h2-12,15,18-20H,13-14,16-17H2,1H3,(H,30,34)
InChIKeyYVBCHHJOSNBWGB-UHFFFAOYSA-N
XLogP4.43
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate
CID 51153893
1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 46664061
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone
CID 167974805
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 120819044
[1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469903
1-(1,3-diphenylpyrazole-4-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55950995
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 9397141
(2-methylmorpholin-4-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 24575607
[4-(4-chlorophenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 60557626
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 40815392
[3-(methylaminomethyl)piperidin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone;dihydrochloride
CID 119394788
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide (CID 38646128) is N-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is YVBCHHJOSNBWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-36-25-12-6-5-11-24(25)30-27(34)20-13-16-32(17-14-20)28(35)23-19-33(22-9-3-2-4-10-22)31-26(23)21-8-7-15-29-18-21/h2-12,15,18-20H,13-14,16-17H2,1H3,(H,30,34).
What are the key properties of N-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide?
N-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 38646128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).