N'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide

C21H22ClN3O5 — CID 55634294

IUPACN'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1cc(Cl)ccc1O
InChIInChI=1S/C21H22ClN3O5/c22-15-6-7-18(26)17(12-15)21(29)24-23-20(28)14-8-10-25(11-9-14)19(27)13-30-16-4-2-1-3-5-16/h1-7,12,14,26H,8-11,13H2,(H,23,28)(H,24,29)
InChIKeyYCRCVTCMSVZCIZ-UHFFFAOYSA-N
MW431.88 g/mol
LogP2.12
Rot. Bonds5

About N'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide

N'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide (PubChem CID 55634294) has the molecular formula C21H22ClN3O5 and a molecular weight of 431.88 g/mol. Its IUPAC name is N'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide
PubChem CID55634294
Molecular FormulaC21H22ClN3O5
Molecular Weight431.88 g/mol
Exact Mass431.12
IUPAC NameN'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1cc(Cl)ccc1O
InChIInChI=1S/C21H22ClN3O5/c22-15-6-7-18(26)17(12-15)21(29)24-23-20(28)14-8-10-25(11-9-14)19(27)13-30-16-4-2-1-3-5-16/h1-7,12,14,26H,8-11,13H2,(H,23,28)(H,24,29)
InChIKeyYCRCVTCMSVZCIZ-UHFFFAOYSA-N
XLogP2.12
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide
CID 55631373
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
CID 110394316
N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide
CID 46104013
1-(2-phenoxyacetyl)-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carbohydrazide
CID 55634767
2-(furan-2-yl)-N'-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]quinoline-4-carbohydrazide
CID 55635239
1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 113002538
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 86931753

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide?
The IUPAC name of N'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide (CID 55634294) is N'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide.
What is the SMILES notation for N'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide?
The canonical SMILES for N'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide is O=C(NNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1cc(Cl)ccc1O.
What is the InChIKey of N'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide?
The InChIKey is YCRCVTCMSVZCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O5/c22-15-6-7-18(26)17(12-15)21(29)24-23-20(28)14-8-10-25(11-9-14)19(27)13-30-16-4-2-1-3-5-16/h1-7,12,14,26H,8-11,13H2,(H,23,28)(H,24,29).
What are the key properties of N'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide?
N'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide has a molecular weight of 431.88 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 55634294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).