1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide

C19H25N5O2 — CID 78772201

IUPAC1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide
SMILESCC(C)n1nccc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H25N5O2/c1-14(2)24-17(8-11-20-24)22-18(25)15-9-12-23(13-10-15)19(26)21-16-6-4-3-5-7-16/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyNJISZCQSMBZQJE-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.35
Rot. Bonds4

About 1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide

1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide (PubChem CID 78772201) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide
PubChem CID78772201
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide
SMILESCC(C)n1nccc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H25N5O2/c1-14(2)24-17(8-11-20-24)22-18(25)15-9-12-23(13-10-15)19(26)21-16-6-4-3-5-7-16/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyNJISZCQSMBZQJE-UHFFFAOYSA-N
XLogP3.35
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(furan-2-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 47008803
N-(2-propan-2-ylpyrazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119268271
1-(2-methylpropanoyl)-N-(2-phenylpyrazol-3-yl)piperidine-4-carboxamide
CID 146091632
N-(2-propan-2-ylpyrazol-3-yl)morpholine-4-carboxamide
CID 47198657
1-N-phenyl-4-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]piperidine-1,4-dicarboxamide
CID 86964171
4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26462883
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 50845707
4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51158606
4-N-(2-methylimidazo[1,2-a]pyridin-6-yl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 75369112
1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
CID 55963089
3-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 66031864

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide (CID 78772201) is 1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide is CC(C)n1nccc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide?
The InChIKey is NJISZCQSMBZQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14(2)24-17(8-11-20-24)22-18(25)15-9-12-23(13-10-15)19(26)21-16-6-4-3-5-7-16/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of 1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide?
1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 78772201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).