1-(6-piperidin-1-ylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

C21H35N5O2 — CID 50771951

IUPAC1-(6-piperidin-1-ylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C21H35N5O2/c1-17(2)28-16-6-11-22-21(27)18-9-14-26(15-10-18)20-8-7-19(23-24-20)25-12-4-3-5-13-25/h7-8,17-18H,3-6,9-16H2,1-2H3,(H,22,27)
InChIKeyWVAGRUQGKGKCBB-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.61
Rot. Bonds8

About 1-(6-piperidin-1-ylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide

1-(6-piperidin-1-ylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (PubChem CID 50771951) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 1-(6-piperidin-1-ylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-piperidin-1-ylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
PubChem CID50771951
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name1-(6-piperidin-1-ylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
SMILESCC(C)OCCCNC(=O)C1CCN(c2ccc(N3CCCCC3)nn2)CC1
InChIInChI=1S/C21H35N5O2/c1-17(2)28-16-6-11-22-21(27)18-9-14-26(15-10-18)20-8-7-19(23-24-20)25-12-4-3-5-13-25/h7-8,17-18H,3-6,9-16H2,1-2H3,(H,22,27)
InChIKeyWVAGRUQGKGKCBB-UHFFFAOYSA-N
XLogP2.61
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1-(6-piperidin-1-ylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-piperidin-1-ylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide (CID 50771951) is 1-(6-piperidin-1-ylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-piperidin-1-ylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-piperidin-1-ylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is CC(C)OCCCNC(=O)C1CCN(c2ccc(N3CCCCC3)nn2)CC1.
What is the InChIKey of 1-(6-piperidin-1-ylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
The InChIKey is WVAGRUQGKGKCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-17(2)28-16-6-11-22-21(27)18-9-14-26(15-10-18)20-8-7-19(23-24-20)25-12-4-3-5-13-25/h7-8,17-18H,3-6,9-16H2,1-2H3,(H,22,27).
What are the key properties of 1-(6-piperidin-1-ylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide?
1-(6-piperidin-1-ylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-piperidin-1-ylpyridazin-3-yl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 50771951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).