2-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride

C21H35Cl2N5O — CID 154893409

About 2-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride

2-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride (PubChem CID 154893409) has the molecular formula C21H35Cl2N5O and a molecular weight of 444.45 g/mol. Its IUPAC name is 2-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: 2-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
• PubChem CID: 154893409
• Molecular Formula: C21H35Cl2N5O
• Molecular Weight: 444.45 g/mol
• Exact Mass: 443.22
• IUPAC Name: 2-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
• SMILES: CN1CC2(CCNCC2)CC1C(=O)NC1CCN(Cc2cccnc2)CC1.Cl.Cl
• InChI: InChI=1S/C21H33N5O.2ClH/c1-25-16-21(6-9-22-10-7-21)13-19(25)20(27)24-18-4-11-26(12-5-18)15-17-3-2-8-23-14-17;;/h2-3,8,14,18-19,22H,4-7,9-13,15-16H2,1H3,(H,24,27);2*1H
• InChIKey: FWRAOJZPMKKMOY-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 60.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.45
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?

The IUPAC name of 2-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride (CID 154893409) is 2-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride.

What is the SMILES notation for 2-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?

The canonical SMILES for 2-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride is CN1CC2(CCNCC2)CC1C(=O)NC1CCN(Cc2cccnc2)CC1.Cl.Cl.

What is the InChIKey of 2-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?

The InChIKey is FWRAOJZPMKKMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O.2ClH/c1-25-16-21(6-9-22-10-7-21)13-19(25)20(27)24-18-4-11-26(12-5-18)15-17-3-2-8-23-14-17;;/h2-3,8,14,18-19,22H,4-7,9-13,15-16H2,1H3,(H,24,27);2*1H.

What are the key properties of 2-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?

2-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride has a molecular weight of 444.45 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride is sourced from PubChem (CID 154893409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).