N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C24H41N7O — CID 50771807

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCCN1CCN(CCCNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)CC1
InChIInChI=1S/C24H41N7O/c1-2-28-17-19-29(20-18-28)12-6-11-25-24(32)21-9-15-31(16-10-21)23-8-7-22(26-27-23)30-13-4-3-5-14-30/h7-8,21H,2-6,9-20H2,1H3,(H,25,32)
InChIKeyDJBXRCUZEORQKE-UHFFFAOYSA-N
MW443.64 g/mol
LogP1.83
Rot. Bonds8

About N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 50771807) has the molecular formula C24H41N7O and a molecular weight of 443.64 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID50771807
Molecular FormulaC24H41N7O
Molecular Weight443.64 g/mol
Exact Mass443.34
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCCN1CCN(CCCNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)CC1
InChIInChI=1S/C24H41N7O/c1-2-28-17-19-29(20-18-28)12-6-11-25-24(32)21-9-15-31(16-10-21)23-8-7-22(26-27-23)30-13-4-3-5-14-30/h7-8,21H,2-6,9-20H2,1H3,(H,25,32)
InChIKeyDJBXRCUZEORQKE-UHFFFAOYSA-N
XLogP1.83
TPSA67.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.64
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 50771807) is N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is CCN1CCN(CCCNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is DJBXRCUZEORQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N7O/c1-2-28-17-19-29(20-18-28)12-6-11-25-24(32)21-9-15-31(16-10-21)23-8-7-22(26-27-23)30-13-4-3-5-14-30/h7-8,21H,2-6,9-20H2,1H3,(H,25,32).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 443.64 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50771807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).