N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide

C19H22ClN5O2 — CID 3223274

IUPACN'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide
SMILESCc1cc(C)nc(N2CCC(C(=O)NNC(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C19H22ClN5O2/c1-12-11-13(2)22-19(21-12)25-9-7-15(8-10-25)18(27)24-23-17(26)14-3-5-16(20)6-4-14/h3-6,11,15H,7-10H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYDEVJVSYUOVLPZ-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.42
Rot. Bonds3

About N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide

N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide (PubChem CID 3223274) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide
PubChem CID3223274
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC NameN'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide
SMILESCc1cc(C)nc(N2CCC(C(=O)NNC(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C19H22ClN5O2/c1-12-11-13(2)22-19(21-12)25-9-7-15(8-10-25)18(27)24-23-17(26)14-3-5-16(20)6-4-14/h3-6,11,15H,7-10H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyYDEVJVSYUOVLPZ-UHFFFAOYSA-N
XLogP2.42
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.42
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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Related Compounds

4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide
CID 2666799
N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223264
4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide
CID 55646263
1-(4,6-dimethylpyrimidin-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 108741161
2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]amino]-5-methylbenzoic acid
CID 108805793
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 108805796
N-(2-amino-2-oxoethyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223325
N'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
CID 3223145
1-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 653435
1-(4,6-dimethylpyrimidin-2-yl)-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 7435402
N-(2-bromo-4-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108805686
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108793991

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide (CID 3223274) is N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide is Cc1cc(C)nc(N2CCC(C(=O)NNC(=O)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide?
The InChIKey is YDEVJVSYUOVLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-12-11-13(2)22-19(21-12)25-9-7-15(8-10-25)18(27)24-23-17(26)14-3-5-16(20)6-4-14/h3-6,11,15H,7-10H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide?
N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide has a molecular weight of 387.87 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide is sourced from PubChem (CID 3223274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).