N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

C23H39N7O — CID 53026720

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCCN1CCN(CCNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)CC1
InChIInChI=1S/C23H39N7O/c1-2-27-16-18-28(19-17-27)15-10-24-23(31)20-8-13-30(14-9-20)22-7-6-21(25-26-22)29-11-4-3-5-12-29/h6-7,20H,2-5,8-19H2,1H3,(H,24,31)
InChIKeyTXUZHFUOQJEQAC-UHFFFAOYSA-N
MW429.61 g/mol
LogP1.44
Rot. Bonds7

About N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 53026720) has the molecular formula C23H39N7O and a molecular weight of 429.61 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID53026720
Molecular FormulaC23H39N7O
Molecular Weight429.61 g/mol
Exact Mass429.32
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCCN1CCN(CCNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)CC1
InChIInChI=1S/C23H39N7O/c1-2-27-16-18-28(19-17-27)15-10-24-23(31)20-8-13-30(14-9-20)22-7-6-21(25-26-22)29-11-4-3-5-12-29/h6-7,20H,2-5,8-19H2,1H3,(H,24,31)
InChIKeyTXUZHFUOQJEQAC-UHFFFAOYSA-N
XLogP1.44
TPSA67.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 53026720) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is CCN1CCN(CCNC(=O)C2CCN(c3ccc(N4CCCCC4)nn3)CC2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is TXUZHFUOQJEQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N7O/c1-2-27-16-18-28(19-17-27)15-10-24-23(31)20-8-13-30(14-9-20)22-7-6-21(25-26-22)29-11-4-3-5-12-29/h6-7,20H,2-5,8-19H2,1H3,(H,24,31).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 429.61 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53026720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).