2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide

C16H26N4O — CID 79611018

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
SMILESCc1[nH]ncc1CCCNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C16H26N4O/c1-11-13(10-18-20-11)3-2-6-17-16(21)9-12-7-14-4-5-15(8-12)19-14/h10,12,14-15,19H,2-9H2,1H3,(H,17,21)(H,18,20)
InChIKeyMTQBPAWMQDQZTK-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.69
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide (PubChem CID 79611018) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
PubChem CID79611018
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
SMILESCc1[nH]ncc1CCCNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C16H26N4O/c1-11-13(10-18-20-11)3-2-6-17-16(21)9-12-7-14-4-5-15(8-12)19-14/h10,12,14-15,19H,2-9H2,1H3,(H,17,21)(H,18,20)
InChIKeyMTQBPAWMQDQZTK-UHFFFAOYSA-N
XLogP1.69
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide (CID 79611018) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide is Cc1[nH]ncc1CCCNC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
The InChIKey is MTQBPAWMQDQZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11-13(10-18-20-11)3-2-6-17-16(21)9-12-7-14-4-5-15(8-12)19-14/h10,12,14-15,19H,2-9H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide is sourced from PubChem (CID 79611018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).