1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide

C21H21ClN4O3 — CID 46698256

IUPAC1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C21H21ClN4O3/c22-16-7-5-14(6-8-16)13-19(27)24-25-20(28)15-9-11-26(12-10-15)21-23-17-3-1-2-4-18(17)29-21/h1-8,15H,9-13H2,(H,24,27)(H,25,28)
InChIKeyBPPUFTIXISNZJS-UHFFFAOYSA-N
MW412.88 g/mol
LogP3.09
Rot. Bonds4

About 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide

1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide (PubChem CID 46698256) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide
PubChem CID46698256
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC Name1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C21H21ClN4O3/c22-16-7-5-14(6-8-16)13-19(27)24-25-20(28)15-9-11-26(12-10-15)21-23-17-3-1-2-4-18(17)29-21/h1-8,15H,9-13H2,(H,24,27)(H,25,28)
InChIKeyBPPUFTIXISNZJS-UHFFFAOYSA-N
XLogP3.09
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 53.09
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

1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N'-[(4-chlorophenyl)methyl]oxamide
CID 121108011
N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide
CID 4938227
1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 16597479
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-(4-chlorophenoxy)acetamide
CID 121109465
(2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46685004
1-(1,3-benzoxazol-2-yl)-N'-(2-bromobenzoyl)piperidine-4-carbohydrazide
CID 24604761
1-(1,3-benzoxazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18145860
1-(1,3-benzoxazol-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 32605823
1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
CID 15993683
1-(1,3-benzoxazol-2-yl)-N-[(1R)-1-(2-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 26002595
N'-[2-(4-chlorophenyl)acetyl]cyclopentanecarbohydrazide
CID 26657650

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide (CID 46698256) is 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide is O=C(Cc1ccc(Cl)cc1)NNC(=O)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide?
The InChIKey is BPPUFTIXISNZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c22-16-7-5-14(6-8-16)13-19(27)24-25-20(28)15-9-11-26(12-10-15)21-23-17-3-1-2-4-18(17)29-21/h1-8,15H,9-13H2,(H,24,27)(H,25,28).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide?
1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide has a molecular weight of 412.88 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 46698256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).