methyl 1-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-5-phenylpiperidine-3-carboxylate

C25H28N4O3 — CID 154878195

IUPACmethyl 1-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-5-phenylpiperidine-3-carboxylate
SMILESCOC(=O)C1CC(c2ccccc2)CN(C(=O)Nc2cc(C)n(Cc3ccccc3)n2)C1
InChIInChI=1S/C25H28N4O3/c1-18-13-23(27-29(18)15-19-9-5-3-6-10-19)26-25(31)28-16-21(20-11-7-4-8-12-20)14-22(17-28)24(30)32-2/h3-13,21-22H,14-17H2,1-2H3,(H,26,27,31)
InChIKeyUBHUTHYVAUKFIX-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.05
Rot. Bonds5

About methyl 1-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-5-phenylpiperidine-3-carboxylate

methyl 1-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-5-phenylpiperidine-3-carboxylate (PubChem CID 154878195) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is methyl 1-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-5-phenylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-5-phenylpiperidine-3-carboxylate
PubChem CID154878195
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Namemethyl 1-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-5-phenylpiperidine-3-carboxylate
SMILESCOC(=O)C1CC(c2ccccc2)CN(C(=O)Nc2cc(C)n(Cc3ccccc3)n2)C1
InChIInChI=1S/C25H28N4O3/c1-18-13-23(27-29(18)15-19-9-5-3-6-10-19)26-25(31)28-16-21(20-11-7-4-8-12-20)14-22(17-28)24(30)32-2/h3-13,21-22H,14-17H2,1-2H3,(H,26,27,31)
InChIKeyUBHUTHYVAUKFIX-UHFFFAOYSA-N
XLogP4.05
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 17052773
(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 92995542
1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide
CID 42865494
methyl (3R,5S)-1-[(2-amino-4-pyridinyl)methyl]-5-phenylpiperidine-3-carboxylate
CID 124626203
1-(1-benzyl-5-methylpyrazol-3-yl)-3-(2-phenylethyl)thiourea
CID 19403651
1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075426
N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide
CID 19335076
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19337554
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19337089
3-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498375
ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate
CID 42865473
1-[[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102762

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-5-phenylpiperidine-3-carboxylate?
The IUPAC name of methyl 1-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-5-phenylpiperidine-3-carboxylate (CID 154878195) is methyl 1-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-5-phenylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-5-phenylpiperidine-3-carboxylate?
The canonical SMILES for methyl 1-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-5-phenylpiperidine-3-carboxylate is COC(=O)C1CC(c2ccccc2)CN(C(=O)Nc2cc(C)n(Cc3ccccc3)n2)C1.
What is the InChIKey of methyl 1-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-5-phenylpiperidine-3-carboxylate?
The InChIKey is UBHUTHYVAUKFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-18-13-23(27-29(18)15-19-9-5-3-6-10-19)26-25(31)28-16-21(20-11-7-4-8-12-20)14-22(17-28)24(30)32-2/h3-13,21-22H,14-17H2,1-2H3,(H,26,27,31).
What are the key properties of methyl 1-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-5-phenylpiperidine-3-carboxylate?
methyl 1-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-5-phenylpiperidine-3-carboxylate has a molecular weight of 432.52 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]-5-phenylpiperidine-3-carboxylate is sourced from PubChem (CID 154878195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).