N'-(4-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide

C19H23N5O2 — CID 3223193

IUPACN'-(4-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2CCN(c3nccc(C)n3)CC2)cc1
InChIInChI=1S/C19H23N5O2/c1-13-3-5-15(6-4-13)17(25)22-23-18(26)16-8-11-24(12-9-16)19-20-10-7-14(2)21-19/h3-7,10,16H,8-9,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyABOXIVJJJYRTRZ-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.77
Rot. Bonds3

About N'-(4-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide

N'-(4-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide (PubChem CID 3223193) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N'-(4-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide
PubChem CID3223193
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN'-(4-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2CCN(c3nccc(C)n3)CC2)cc1
InChIInChI=1S/C19H23N5O2/c1-13-3-5-15(6-4-13)17(25)22-23-18(26)16-8-11-24(12-9-16)19-20-10-7-14(2)21-19/h3-7,10,16H,8-9,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyABOXIVJJJYRTRZ-UHFFFAOYSA-N
XLogP1.77
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide?
The IUPAC name of N'-(4-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide (CID 3223193) is N'-(4-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide.
What is the SMILES notation for N'-(4-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide?
The canonical SMILES for N'-(4-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide is Cc1ccc(C(=O)NNC(=O)C2CCN(c3nccc(C)n3)CC2)cc1.
What is the InChIKey of N'-(4-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide?
The InChIKey is ABOXIVJJJYRTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-3-5-15(6-4-13)17(25)22-23-18(26)16-8-11-24(12-9-16)19-20-10-7-14(2)21-19/h3-7,10,16H,8-9,11-12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N'-(4-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide?
N'-(4-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide has a molecular weight of 353.43 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylbenzoyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide is sourced from PubChem (CID 3223193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).