1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide

C17H20N4O3 — CID 26025752

IUPAC1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(c2nc3ccccc3o2)CC1)C1CC1
InChIInChI=1S/C17H20N4O3/c22-15(11-5-6-11)19-20-16(23)12-7-9-21(10-8-12)17-18-13-3-1-2-4-14(13)24-17/h1-4,11-12H,5-10H2,(H,19,22)(H,20,23)
InChIKeyMLRUGZLGNDSKKW-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.60
Rot. Bonds3

About 1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide

1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide (PubChem CID 26025752) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
PubChem CID26025752
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(c2nc3ccccc3o2)CC1)C1CC1
InChIInChI=1S/C17H20N4O3/c22-15(11-5-6-11)19-20-16(23)12-7-9-21(10-8-12)17-18-13-3-1-2-4-14(13)24-17/h1-4,11-12H,5-10H2,(H,19,22)(H,20,23)
InChIKeyMLRUGZLGNDSKKW-UHFFFAOYSA-N
XLogP1.60
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.60
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'-(2-bromobenzoyl)piperidine-4-carbohydrazide
CID 24604761
1-(1,3-benzoxazol-2-yl)-N'-[2-(4-chlorophenyl)acetyl]piperidine-4-carbohydrazide
CID 46698256
1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 25337579
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide
CID 16590448
1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide
CID 134012022
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
CID 15993683
N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 112807549
2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119169865
(2S)-2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 119359710
1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17421563

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide (CID 26025752) is 1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide is O=C(NNC(=O)C1CCN(c2nc3ccccc3o2)CC1)C1CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide?
The InChIKey is MLRUGZLGNDSKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-15(11-5-6-11)19-20-16(23)12-7-9-21(10-8-12)17-18-13-3-1-2-4-14(13)24-17/h1-4,11-12H,5-10H2,(H,19,22)(H,20,23).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide?
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide has a molecular weight of 328.37 g/mol, XLogP of 1.60, 3 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'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 26025752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).