N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide

C21H22ClN3O3 — CID 46407573

IUPACN'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O3/c22-18-10-8-16(9-11-18)20(27)23-24-21(28)17-7-4-12-25(14-17)19(26)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,23,27)(H,24,28)
InChIKeyJXGCYEORCHTGOS-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.58
Rot. Bonds4

About N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide

N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide (PubChem CID 46407573) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
PubChem CID46407573
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC NameN'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O3/c22-18-10-8-16(9-11-18)20(27)23-24-21(28)17-7-4-12-25(14-17)19(26)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,23,27)(H,24,28)
InChIKeyJXGCYEORCHTGOS-UHFFFAOYSA-N
XLogP2.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110289396
N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
CID 46407957
N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55604677
(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide
CID 55511757
1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119454204
methyl 2-[[4-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]benzoyl]amino]acetate
CID 55607181
4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide
CID 2666799
1-[3-(4-methylbenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110394612
1-[3-(4-benzoyl-1,4-diazepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 78861461
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
(3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 2161170

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide (CID 46407573) is N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide is O=C(NNC(=O)C1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide?
The InChIKey is JXGCYEORCHTGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c22-18-10-8-16(9-11-18)20(27)23-24-21(28)17-7-4-12-25(14-17)19(26)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,17H,4,7,12-14H2,(H,23,27)(H,24,28).
What are the key properties of N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide?
N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide has a molecular weight of 399.88 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 46407573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).