N'-[2-(4-methoxyanilino)acetyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetohydrazide

C22H26N4O4 — CID 56574851

IUPACN'-[2-(4-methoxyanilino)acetyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)C(c2ccccc2)N2CCCCC2=O)cc1
InChIInChI=1S/C22H26N4O4/c1-30-18-12-10-17(11-13-18)23-15-19(27)24-25-22(29)21(16-7-3-2-4-8-16)26-14-6-5-9-20(26)28/h2-4,7-8,10-13,21,23H,5-6,9,14-15H2,1H3,(H,24,27)(H,25,29)
InChIKeyJDPZWHLWPBNOIK-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.01
Rot. Bonds7

About N'-[2-(4-methoxyanilino)acetyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetohydrazide

N'-[2-(4-methoxyanilino)acetyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetohydrazide (PubChem CID 56574851) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N'-[2-(4-methoxyanilino)acetyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyanilino)acetyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetohydrazide
PubChem CID56574851
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN'-[2-(4-methoxyanilino)acetyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)C(c2ccccc2)N2CCCCC2=O)cc1
InChIInChI=1S/C22H26N4O4/c1-30-18-12-10-17(11-13-18)23-15-19(27)24-25-22(29)21(16-7-3-2-4-8-16)26-14-6-5-9-20(26)28/h2-4,7-8,10-13,21,23H,5-6,9,14-15H2,1H3,(H,24,27)(H,25,29)
InChIKeyJDPZWHLWPBNOIK-UHFFFAOYSA-N
XLogP2.01
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56577878
1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504681
N-(cyclopropylmethyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515214
N'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide
CID 55629264
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513978
N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride
CID 119406812
N-(4-methyl-4-phenylpentan-2-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56504942
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513328
2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate
CID 56577209
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 56505315
(2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide
CID 47066845

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetohydrazide?
The IUPAC name of N'-[2-(4-methoxyanilino)acetyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetohydrazide (CID 56574851) is N'-[2-(4-methoxyanilino)acetyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetohydrazide.
What is the SMILES notation for N'-[2-(4-methoxyanilino)acetyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetohydrazide?
The canonical SMILES for N'-[2-(4-methoxyanilino)acetyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetohydrazide is COc1ccc(NCC(=O)NNC(=O)C(c2ccccc2)N2CCCCC2=O)cc1.
What is the InChIKey of N'-[2-(4-methoxyanilino)acetyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetohydrazide?
The InChIKey is JDPZWHLWPBNOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-30-18-12-10-17(11-13-18)23-15-19(27)24-25-22(29)21(16-7-3-2-4-8-16)26-14-6-5-9-20(26)28/h2-4,7-8,10-13,21,23H,5-6,9,14-15H2,1H3,(H,24,27)(H,25,29).
What are the key properties of N'-[2-(4-methoxyanilino)acetyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetohydrazide?
N'-[2-(4-methoxyanilino)acetyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetohydrazide has a molecular weight of 410.47 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyanilino)acetyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetohydrazide is sourced from PubChem (CID 56574851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).