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

C22H37N7O — CID 53062276

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCCN1CCN(CCNC(=O)C2CCN(c3ccc(N4CCCC4)nn3)CC2)CC1
InChIInChI=1S/C22H37N7O/c1-2-26-15-17-27(18-16-26)14-9-23-22(30)19-7-12-29(13-8-19)21-6-5-20(24-25-21)28-10-3-4-11-28/h5-6,19H,2-4,7-18H2,1H3,(H,23,30)
InChIKeyLPDNUPKRHJPFIF-UHFFFAOYSA-N
MW415.59 g/mol
LogP1.05
Rot. Bonds7

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

N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 53062276) has the molecular formula C22H37N7O and a molecular weight of 415.59 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID53062276
Molecular FormulaC22H37N7O
Molecular Weight415.59 g/mol
Exact Mass415.31
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCCN1CCN(CCNC(=O)C2CCN(c3ccc(N4CCCC4)nn3)CC2)CC1
InChIInChI=1S/C22H37N7O/c1-2-26-15-17-27(18-16-26)14-9-23-22(30)19-7-12-29(13-8-19)21-6-5-20(24-25-21)28-10-3-4-11-28/h5-6,19H,2-4,7-18H2,1H3,(H,23,30)
InChIKeyLPDNUPKRHJPFIF-UHFFFAOYSA-N
XLogP1.05
TPSA67.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.59
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-(3-methoxypropyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 16188092
N-[2-(dimethylamino)ethyl]-2-(1-pyridazin-3-ylpiperidin-4-yl)acetamide
CID 95817059
(4-Methylpiperazin-1-yl)-(1-pyridazin-3-ylpiperidin-4-yl)methanone
CID 95826552
Cyclohexyl(4-(6-(2-methylpiperidin-1-yl)pyridazin-3-yl)piperazin-1-yl)methanone
CID 18584530
N-(2-methoxyethyl)-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20865083
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 46297902
Azepan-1-yl-[1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 46297903
N-{3-[cyclohexyl(methyl)amino]propyl}-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771154
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771807
N-cyclohexyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771821
N-[3-(3-Methylpiperidino)propyl]-1-(6-piperidino-3-pyridazinyl)-4-piperidinecarboxamide
CID 50771825
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771872

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 53062276) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is CCN1CCN(CCNC(=O)C2CCN(c3ccc(N4CCCC4)nn3)CC2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is LPDNUPKRHJPFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N7O/c1-2-26-15-17-27(18-16-26)14-9-23-22(30)19-7-12-29(13-8-19)21-6-5-20(24-25-21)28-10-3-4-11-28/h5-6,19H,2-4,7-18H2,1H3,(H,23,30).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 415.59 g/mol, XLogP of 1.05, 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-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53062276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).