N'-[2-(2-fluorophenoxy)propanoyl]-1-(naphthalene-1-carbonyl)piperidine-3-carbohydrazide

C26H26FN3O4 — CID 46653800

IUPACN'-[2-(2-fluorophenoxy)propanoyl]-1-(naphthalene-1-carbonyl)piperidine-3-carbohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C26H26FN3O4/c1-17(34-23-14-5-4-13-22(23)27)24(31)28-29-25(32)19-10-7-15-30(16-19)26(33)21-12-6-9-18-8-2-3-11-20(18)21/h2-6,8-9,11-14,17,19H,7,10,15-16H2,1H3,(H,28,31)(H,29,32)
InChIKeyQDVZXGGRXVTBNA-UHFFFAOYSA-N
MW463.51 g/mol
LogP3.45
Rot. Bonds5

About N'-[2-(2-fluorophenoxy)propanoyl]-1-(naphthalene-1-carbonyl)piperidine-3-carbohydrazide

N'-[2-(2-fluorophenoxy)propanoyl]-1-(naphthalene-1-carbonyl)piperidine-3-carbohydrazide (PubChem CID 46653800) has the molecular formula C26H26FN3O4 and a molecular weight of 463.51 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)propanoyl]-1-(naphthalene-1-carbonyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)propanoyl]-1-(naphthalene-1-carbonyl)piperidine-3-carbohydrazide
PubChem CID46653800
Molecular FormulaC26H26FN3O4
Molecular Weight463.51 g/mol
Exact Mass463.19
IUPAC NameN'-[2-(2-fluorophenoxy)propanoyl]-1-(naphthalene-1-carbonyl)piperidine-3-carbohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C26H26FN3O4/c1-17(34-23-14-5-4-13-22(23)27)24(31)28-29-25(32)19-10-7-15-30(16-19)26(33)21-12-6-9-18-8-2-3-11-20(18)21/h2-6,8-9,11-14,17,19H,7,10,15-16H2,1H3,(H,28,31)(H,29,32)
InChIKeyQDVZXGGRXVTBNA-UHFFFAOYSA-N
XLogP3.45
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-fluorophenoxy)propanoyl]cyclobutanecarbohydrazide
CID 18158775
N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46510601
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
1-[2-(difluoromethoxy)benzoyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 55640170
1-(naphthalene-1-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 24542998
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 94082480
(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367783
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46456130
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)propanoyl]-1-(naphthalene-1-carbonyl)piperidine-3-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)propanoyl]-1-(naphthalene-1-carbonyl)piperidine-3-carbohydrazide (CID 46653800) is N'-[2-(2-fluorophenoxy)propanoyl]-1-(naphthalene-1-carbonyl)piperidine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)propanoyl]-1-(naphthalene-1-carbonyl)piperidine-3-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)propanoyl]-1-(naphthalene-1-carbonyl)piperidine-3-carbohydrazide is CC(Oc1ccccc1F)C(=O)NNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of N'-[2-(2-fluorophenoxy)propanoyl]-1-(naphthalene-1-carbonyl)piperidine-3-carbohydrazide?
The InChIKey is QDVZXGGRXVTBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4/c1-17(34-23-14-5-4-13-22(23)27)24(31)28-29-25(32)19-10-7-15-30(16-19)26(33)21-12-6-9-18-8-2-3-11-20(18)21/h2-6,8-9,11-14,17,19H,7,10,15-16H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N'-[2-(2-fluorophenoxy)propanoyl]-1-(naphthalene-1-carbonyl)piperidine-3-carbohydrazide?
N'-[2-(2-fluorophenoxy)propanoyl]-1-(naphthalene-1-carbonyl)piperidine-3-carbohydrazide has a molecular weight of 463.51 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)propanoyl]-1-(naphthalene-1-carbonyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 46653800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).