N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide

C24H24ClN5O3 — CID 46573281

IUPACN'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(c2cnccn2)C1)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24ClN5O3/c25-20-7-9-21(10-8-20)33-16-17-3-5-18(6-4-17)23(31)28-29-24(32)19-2-1-13-30(15-19)22-14-26-11-12-27-22/h3-12,14,19H,1-2,13,15-16H2,(H,28,31)(H,29,32)
InChIKeyADPSUTASAUWQKB-UHFFFAOYSA-N
MW465.94 g/mol
LogP3.39
Rot. Bonds6

About N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide

N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide (PubChem CID 46573281) has the molecular formula C24H24ClN5O3 and a molecular weight of 465.94 g/mol. Its IUPAC name is N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide
PubChem CID46573281
Molecular FormulaC24H24ClN5O3
Molecular Weight465.94 g/mol
Exact Mass465.16
IUPAC NameN'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(c2cnccn2)C1)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H24ClN5O3/c25-20-7-9-21(10-8-20)33-16-17-3-5-18(6-4-17)23(31)28-29-24(32)19-2-1-13-30(15-19)22-14-26-11-12-27-22/h3-12,14,19H,1-2,13,15-16H2,(H,28,31)(H,29,32)
InChIKeyADPSUTASAUWQKB-UHFFFAOYSA-N
XLogP3.39
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
N-[5-(4-chlorophenoxy)-2-pyridinyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 167808965
N'-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide
CID 43062207
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36998536
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 42954799
(3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37400735
ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
CID 37002369
1-pyrazin-2-yl-N'-(2,4,6-trichlorophenyl)piperidine-3-carbohydrazide
CID 51113453
1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 46573519
(3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37165093
N-[2-(4-propan-2-yloxyphenyl)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46431901
(3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide
CID 9274909

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide?
The IUPAC name of N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide (CID 46573281) is N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide.
What is the SMILES notation for N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide?
The canonical SMILES for N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide is O=C(NNC(=O)C1CCCN(c2cnccn2)C1)c1ccc(COc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide?
The InChIKey is ADPSUTASAUWQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3/c25-20-7-9-21(10-8-20)33-16-17-3-5-18(6-4-17)23(31)28-29-24(32)19-2-1-13-30(15-19)22-14-26-11-12-27-22/h3-12,14,19H,1-2,13,15-16H2,(H,28,31)(H,29,32).
What are the key properties of N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide?
N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide has a molecular weight of 465.94 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide is sourced from PubChem (CID 46573281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).