N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide

C18H29N5O2 — CID 127975200

About N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide

N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 127975200) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide
• PubChem CID: 127975200
• Molecular Formula: C18H29N5O2
• Molecular Weight: 347.46 g/mol
• Exact Mass: 347.23
• IUPAC Name: N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide
• SMILES: CNC(=O)c1ccn(C2CCCN(CCN3CC4CCC(C3)O4)C2)n1
• InChI: InChI=1S/C18H29N5O2/c1-19-18(24)17-6-8-23(20-17)14-3-2-7-21(11-14)9-10-22-12-15-4-5-16(13-22)25-15/h6,8,14-16H,2-5,7,9-13H2,1H3,(H,19,24)
• InChIKey: NGWQYNSKHTWMRS-UHFFFAOYSA-N
• XLogP: 0.74
• TPSA: 62.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.46
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide?

The IUPAC name of N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide (CID 127975200) is N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide.

What is the SMILES notation for N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide?

The canonical SMILES for N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide is CNC(=O)c1ccn(C2CCCN(CCN3CC4CCC(C3)O4)C2)n1.

What is the InChIKey of N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide?

The InChIKey is NGWQYNSKHTWMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-19-18(24)17-6-8-23(20-17)14-3-2-7-21(11-14)9-10-22-12-15-4-5-16(13-22)25-15/h6,8,14-16H,2-5,7,9-13H2,1H3,(H,19,24).

What are the key properties of N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide?

N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 127975200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).