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

C18H21N5O2 — CID 3223211

IUPACN'-benzoyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide
SMILESCc1ccnc(N2CCC(C(=O)NNC(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C18H21N5O2/c1-13-7-10-19-18(20-13)23-11-8-15(9-12-23)17(25)22-21-16(24)14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyKVEFJTAZTYNPOO-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.46
Rot. Bonds3

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

N'-benzoyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide (PubChem CID 3223211) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N'-benzoyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide
PubChem CID3223211
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN'-benzoyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide
SMILESCc1ccnc(N2CCC(C(=O)NNC(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C18H21N5O2/c1-13-7-10-19-18(20-13)23-11-8-15(9-12-23)17(25)22-21-16(24)14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-12H2,1H3,(H,21,24)(H,22,25)
InChIKeyKVEFJTAZTYNPOO-UHFFFAOYSA-N
XLogP1.46
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.46
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'-benzoyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide?
The IUPAC name of N'-benzoyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide (CID 3223211) is N'-benzoyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide.
What is the SMILES notation for N'-benzoyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide?
The canonical SMILES for N'-benzoyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide is Cc1ccnc(N2CCC(C(=O)NNC(=O)c3ccccc3)CC2)n1.
What is the InChIKey of N'-benzoyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide?
The InChIKey is KVEFJTAZTYNPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13-7-10-19-18(20-13)23-11-8-15(9-12-23)17(25)22-21-16(24)14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-12H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-benzoyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide?
N'-benzoyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide has a molecular weight of 339.40 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carbohydrazide is sourced from PubChem (CID 3223211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).