N'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenylpropanehydrazide

C23H32N6O — CID 1109397

IUPACN'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenylpropanehydrazide
SMILESO=C(CCc1ccccc1)NNc1cc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C23H32N6O/c30-22(13-12-19-10-4-1-5-11-19)27-26-20-18-21(28-14-6-2-7-15-28)25-23(24-20)29-16-8-3-9-17-29/h1,4-5,10-11,18H,2-3,6-9,12-17H2,(H,27,30)(H,24,25,26)
InChIKeyJZRIETCEGKDUCH-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.53
Rot. Bonds7

About N'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenylpropanehydrazide

N'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenylpropanehydrazide (PubChem CID 1109397) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is N'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenylpropanehydrazide.

Molecular Properties

Compound NameN'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenylpropanehydrazide
PubChem CID1109397
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC NameN'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenylpropanehydrazide
SMILESO=C(CCc1ccccc1)NNc1cc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C23H32N6O/c30-22(13-12-19-10-4-1-5-11-19)27-26-20-18-21(28-14-6-2-7-15-28)25-23(24-20)29-16-8-3-9-17-29/h1,4-5,10-11,18H,2-3,6-9,12-17H2,(H,27,30)(H,24,25,26)
InChIKeyJZRIETCEGKDUCH-UHFFFAOYSA-N
XLogP3.53
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.53
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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Frequently Asked Questions

What is the IUPAC name of N'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenylpropanehydrazide?
The IUPAC name of N'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenylpropanehydrazide (CID 1109397) is N'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenylpropanehydrazide.
What is the SMILES notation for N'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenylpropanehydrazide?
The canonical SMILES for N'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenylpropanehydrazide is O=C(CCc1ccccc1)NNc1cc(N2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of N'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenylpropanehydrazide?
The InChIKey is JZRIETCEGKDUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c30-22(13-12-19-10-4-1-5-11-19)27-26-20-18-21(28-14-6-2-7-15-28)25-23(24-20)29-16-8-3-9-17-29/h1,4-5,10-11,18H,2-3,6-9,12-17H2,(H,27,30)(H,24,25,26).
What are the key properties of N'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenylpropanehydrazide?
N'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenylpropanehydrazide has a molecular weight of 408.55 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenylpropanehydrazide is sourced from PubChem (CID 1109397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).