N,N-dimethyl-2-[(1S,5R)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide

C16H26N6O2 — CID 72845745

IUPACN,N-dimethyl-2-[(1S,5R)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
SMILESCN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cncn1)C2
InChIInChI=1S/C16H26N6O2/c1-19(2)16(24)10-20-7-13-3-4-14(9-20)22(8-13)15(23)5-6-21-12-17-11-18-21/h11-14H,3-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyWMVKBYSAGVNIKI-UONOGXRCSA-N
MW334.42 g/mol
LogP-0.32
Rot. Bonds5

About N,N-dimethyl-2-[(1S,5R)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide

N,N-dimethyl-2-[(1S,5R)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide (PubChem CID 72845745) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1S,5R)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1S,5R)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
PubChem CID72845745
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC NameN,N-dimethyl-2-[(1S,5R)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
SMILESCN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cncn1)C2
InChIInChI=1S/C16H26N6O2/c1-19(2)16(24)10-20-7-13-3-4-14(9-20)22(8-13)15(23)5-6-21-12-17-11-18-21/h11-14H,3-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyWMVKBYSAGVNIKI-UONOGXRCSA-N
XLogP-0.32
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1S,5R)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(1S,5R)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide (CID 72845745) is N,N-dimethyl-2-[(1S,5R)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(1S,5R)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(1S,5R)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide is CN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(C(=O)CCn1cncn1)C2.
What is the InChIKey of N,N-dimethyl-2-[(1S,5R)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The InChIKey is WMVKBYSAGVNIKI-UONOGXRCSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-19(2)16(24)10-20-7-13-3-4-14(9-20)22(8-13)15(23)5-6-21-12-17-11-18-21/h11-14H,3-10H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of N,N-dimethyl-2-[(1S,5R)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
N,N-dimethyl-2-[(1S,5R)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide has a molecular weight of 334.42 g/mol, XLogP of -0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1S,5R)-6-[3-(1,2,4-triazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide is sourced from PubChem (CID 72845745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).