N-[[(1R,5S)-8-[(1,4-dimethylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide

C16H26N4O — CID 166315041

IUPACN-[[(1R,5S)-8-[(1,4-dimethylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
SMILESCC(=O)NCC1C[C@H]2CC[C@@H](C1)N2Cc1nn(C)cc1C
InChIInChI=1S/C16H26N4O/c1-11-9-19(3)18-16(11)10-20-14-4-5-15(20)7-13(6-14)8-17-12(2)21/h9,13-15H,4-8,10H2,1-3H3,(H,17,21)/t13?,14-,15+
InChIKeyWYTYFIIZHMMHJL-GOOCMWNKSA-N
MW290.41 g/mol
LogP1.61
Rot. Bonds4

About N-[[(1R,5S)-8-[(1,4-dimethylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide

N-[[(1R,5S)-8-[(1,4-dimethylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide (PubChem CID 166315041) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[(1R,5S)-8-[(1,4-dimethylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1R,5S)-8-[(1,4-dimethylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
PubChem CID166315041
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[[(1R,5S)-8-[(1,4-dimethylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
SMILESCC(=O)NCC1C[C@H]2CC[C@@H](C1)N2Cc1nn(C)cc1C
InChIInChI=1S/C16H26N4O/c1-11-9-19(3)18-16(11)10-20-14-4-5-15(20)7-13(6-14)8-17-12(2)21/h9,13-15H,4-8,10H2,1-3H3,(H,17,21)/t13?,14-,15+
InChIKeyWYTYFIIZHMMHJL-GOOCMWNKSA-N
XLogP1.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5S)-8-[(1,4-dimethylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide?
The IUPAC name of N-[[(1R,5S)-8-[(1,4-dimethylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide (CID 166315041) is N-[[(1R,5S)-8-[(1,4-dimethylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(1R,5S)-8-[(1,4-dimethylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(1R,5S)-8-[(1,4-dimethylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide is CC(=O)NCC1C[C@H]2CC[C@@H](C1)N2Cc1nn(C)cc1C.
What is the InChIKey of N-[[(1R,5S)-8-[(1,4-dimethylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide?
The InChIKey is WYTYFIIZHMMHJL-GOOCMWNKSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11-9-19(3)18-16(11)10-20-14-4-5-15(20)7-13(6-14)8-17-12(2)21/h9,13-15H,4-8,10H2,1-3H3,(H,17,21)/t13?,14-,15+.
What are the key properties of N-[[(1R,5S)-8-[(1,4-dimethylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide?
N-[[(1R,5S)-8-[(1,4-dimethylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5S)-8-[(1,4-dimethylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide is sourced from PubChem (CID 166315041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).