N'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide

C19H23N5O3 — CID 3223132

IUPACN'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H23N5O3/c1-14-3-5-16(6-4-14)27-13-17(25)22-23-18(26)15-7-11-24(12-8-15)19-20-9-2-10-21-19/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyCBPMDNOTZBWQCO-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.23
Rot. Bonds5

About N'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide

N'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide (PubChem CID 3223132) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
PubChem CID3223132
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H23N5O3/c1-14-3-5-16(6-4-14)27-13-17(25)22-23-18(26)15-7-11-24(12-8-15)19-20-9-2-10-21-19/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyCBPMDNOTZBWQCO-UHFFFAOYSA-N
XLogP1.23
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.23
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

N'-butanoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
CID 23544069
2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39539907
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55998309
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
N'-benzoyl-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
CID 3223145
(2R)-N'-[2-(4-methylphenoxy)acetyl]-1-(4-methylphenyl)sulfonylpiperidine-2-carbohydrazide
CID 51571149
N'-[2-(4-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 4513389
N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
CID 923350
N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223156
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-[2-(4-methoxyphenoxy)acetyl]piperidine-4-carbohydrazide
CID 25162448
ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 171678844
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
The IUPAC name of N'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide (CID 3223132) is N'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide is Cc1ccc(OCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
The InChIKey is CBPMDNOTZBWQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-14-3-5-16(6-4-14)27-13-17(25)22-23-18(26)15-7-11-24(12-8-15)19-20-9-2-10-21-19/h2-6,9-10,15H,7-8,11-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide?
N'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide has a molecular weight of 369.43 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide is sourced from PubChem (CID 3223132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).