4-(2-amino-2-oxoethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide

C18H23N5O2 — CID 56820948

IUPAC4-(2-amino-2-oxoethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide
SMILESNC(=O)CC1CCN(C(=O)NCc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C18H23N5O2/c19-17(24)12-14-6-10-22(11-7-14)18(25)20-13-15-4-1-2-5-16(15)23-9-3-8-21-23/h1-5,8-9,14H,6-7,10-13H2,(H2,19,24)(H,20,25)
InChIKeySIEPBWXBLIFSTL-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.67
Rot. Bonds5

About 4-(2-amino-2-oxoethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide

4-(2-amino-2-oxoethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide (PubChem CID 56820948) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide
PubChem CID56820948
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name4-(2-amino-2-oxoethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide
SMILESNC(=O)CC1CCN(C(=O)NCc2ccccc2-n2cccn2)CC1
InChIInChI=1S/C18H23N5O2/c19-17(24)12-14-6-10-22(11-7-14)18(25)20-13-15-4-1-2-5-16(15)23-9-3-8-21-23/h1-5,8-9,14H,6-7,10-13H2,(H2,19,24)(H,20,25)
InChIKeySIEPBWXBLIFSTL-UHFFFAOYSA-N
XLogP1.67
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide (CID 56820948) is 4-(2-amino-2-oxoethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide is NC(=O)CC1CCN(C(=O)NCc2ccccc2-n2cccn2)CC1.
What is the InChIKey of 4-(2-amino-2-oxoethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is SIEPBWXBLIFSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c19-17(24)12-14-6-10-22(11-7-14)18(25)20-13-15-4-1-2-5-16(15)23-9-3-8-21-23/h1-5,8-9,14H,6-7,10-13H2,(H2,19,24)(H,20,25).
What are the key properties of 4-(2-amino-2-oxoethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide?
4-(2-amino-2-oxoethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 56820948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).