N'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide

C24H30N4O4 — CID 56502988

IUPACN'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)cc1
InChIInChI=1S/C24H30N4O4/c1-18-9-11-20(12-10-18)25-16-22(29)26-27-24(31)19-6-5-14-28(17-19)23(30)13-15-32-21-7-3-2-4-8-21/h2-4,7-12,19,25H,5-6,13-17H2,1H3,(H,26,29)(H,27,31)
InChIKeyJMGARZZPSHITGC-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.26
Rot. Bonds8

About N'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide

N'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide (PubChem CID 56502988) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide
PubChem CID56502988
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)cc1
InChIInChI=1S/C24H30N4O4/c1-18-9-11-20(12-10-18)25-16-22(29)26-27-24(31)19-6-5-14-28(17-19)23(30)13-15-32-21-7-3-2-4-8-21/h2-4,7-12,19,25H,5-6,13-17H2,1H3,(H,26,29)(H,27,31)
InChIKeyJMGARZZPSHITGC-UHFFFAOYSA-N
XLogP2.26
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
(3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 52504687
N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553985
ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate
CID 47078434
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
cis-(1S,3R)-3-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674902
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55968781
N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553205
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076
1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 119376198

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide?
The IUPAC name of N'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide (CID 56502988) is N'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide is Cc1ccc(NCC(=O)NNC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)cc1.
What is the InChIKey of N'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide?
The InChIKey is JMGARZZPSHITGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-18-9-11-20(12-10-18)25-16-22(29)26-27-24(31)19-6-5-14-28(17-19)23(30)13-15-32-21-7-3-2-4-8-21/h2-4,7-12,19,25H,5-6,13-17H2,1H3,(H,26,29)(H,27,31).
What are the key properties of N'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide?
N'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide has a molecular weight of 438.53 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 56502988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).