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

IUPACN-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(C2CCCN(CCN3CC4CCC(C3)O4)C2)n1
InChIInChI=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)
InChIKeyNGWQYNSKHTWMRS-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.74
Rot. Bonds5

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 NameN-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID127975200
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(C2CCCN(CCN3CC4CCC(C3)O4)C2)n1
InChIInChI=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)
InChIKeyNGWQYNSKHTWMRS-UHFFFAOYSA-N
XLogP0.74
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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).