4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide

C29H29N5O2 — CID 27841140

IUPAC4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C29H29N5O2/c35-28(23-16-18-33(19-17-23)29(36)31-25-12-6-2-7-13-25)30-20-24-21-34(26-14-8-3-9-15-26)32-27(24)22-10-4-1-5-11-22/h1-15,21,23H,16-20H2,(H,30,35)(H,31,36)
InChIKeyCMEDVLPDNAEHEV-UHFFFAOYSA-N
MW479.58 g/mol
LogP5.10
Rot. Bonds6

About 4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 27841140) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID27841140
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC Name4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C29H29N5O2/c35-28(23-16-18-33(19-17-23)29(36)31-25-12-6-2-7-13-25)30-20-24-21-34(26-14-8-3-9-15-26)32-27(24)22-10-4-1-5-11-22/h1-15,21,23H,16-20H2,(H,30,35)(H,31,36)
InChIKeyCMEDVLPDNAEHEV-UHFFFAOYSA-N
XLogP5.10
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropanecarbonyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 27864196
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 49013807
(3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 94799862
benzyl 4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 60604630
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 24610629
4-[2-(cyclopropylamino)-2-oxoethyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 112832270
N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide
CID 26456307
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43048851
1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 26447107
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-nitrocyclopropane-1-carboxamide
CID 47037300
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide (CID 27841140) is 4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide is O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is CMEDVLPDNAEHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c35-28(23-16-18-33(19-17-23)29(36)31-25-12-6-2-7-13-25)30-20-24-21-34(26-14-8-3-9-15-26)32-27(24)22-10-4-1-5-11-22/h1-15,21,23H,16-20H2,(H,30,35)(H,31,36).
What are the key properties of 4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 479.58 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 27841140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).