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

C14H23N7O2 — CID 72868801

IUPACN,N-dimethyl-2-[(1S,5R)-6-[2-(tetrazol-1-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
SMILESCN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1cnnn1)C2
InChIInChI=1S/C14H23N7O2/c1-18(2)13(22)8-19-5-11-3-4-12(7-19)21(6-11)14(23)9-20-10-15-16-17-20/h10-12H,3-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyRCUMVXUNQNNYSN-NWDGAFQWSA-N
MW321.39 g/mol
LogP-1.32
Rot. Bonds4

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

N,N-dimethyl-2-[(1S,5R)-6-[2-(tetrazol-1-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide (PubChem CID 72868801) has the molecular formula C14H23N7O2 and a molecular weight of 321.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1S,5R)-6-[2-(tetrazol-1-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1S,5R)-6-[2-(tetrazol-1-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
PubChem CID72868801
Molecular FormulaC14H23N7O2
Molecular Weight321.39 g/mol
Exact Mass321.19
IUPAC NameN,N-dimethyl-2-[(1S,5R)-6-[2-(tetrazol-1-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
SMILESCN(C)C(=O)CN1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1cnnn1)C2
InChIInChI=1S/C14H23N7O2/c1-18(2)13(22)8-19-5-11-3-4-12(7-19)21(6-11)14(23)9-20-10-15-16-17-20/h10-12H,3-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyRCUMVXUNQNNYSN-NWDGAFQWSA-N
XLogP-1.32
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 5-1.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1S,5R)-3-[(4-fluorophenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-(tetrazol-1-yl)ethanone
CID 72883513
(1R,5R)-N,N-dimethyl-6-[3-(tetrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 70721224
2-[(1S,5R)-6-[2-(3-chlorophenoxy)acetyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N,N-dimethylacetamide
CID 72847592
N,N-dimethyl-2-[(1R,5S)-6-(tetrazolo[1,5-a]pyridine-7-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 133123994
(1R,5R)-N,N-dimethyl-6-[4-(tetrazol-1-ylmethyl)benzoyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72851895
N,N-dimethyl-2-[(1R,5S)-6-[1-(4-methylphenyl)cyclopropanecarbonyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 133114022
(1S,5R)-3-[2-(dimethylamino)-2-oxoethyl]-N-(4-propan-2-ylphenyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 72859733
N,N-dimethyl-2-[(1S,5R)-6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 72914987
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(tetrazol-1-yl)ethanone
CID 61235148
N,N-dimethyl-2-[(1R,5S)-6-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 133132156
N,N-dimethyl-2-[(1S,5R)-6-(1-methylpyrazol-4-yl)sulfonyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 72862214
1-[(3R)-3-methylmorpholin-4-yl]-2-(tetrazol-1-yl)ethanone
CID 94095786

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1S,5R)-6-[2-(tetrazol-1-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(1S,5R)-6-[2-(tetrazol-1-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide (CID 72868801) is N,N-dimethyl-2-[(1S,5R)-6-[2-(tetrazol-1-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(1S,5R)-6-[2-(tetrazol-1-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(1S,5R)-6-[2-(tetrazol-1-yl)acetyl]-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)Cn1cnnn1)C2.
What is the InChIKey of N,N-dimethyl-2-[(1S,5R)-6-[2-(tetrazol-1-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
The InChIKey is RCUMVXUNQNNYSN-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H23N7O2/c1-18(2)13(22)8-19-5-11-3-4-12(7-19)21(6-11)14(23)9-20-10-15-16-17-20/h10-12H,3-9H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of N,N-dimethyl-2-[(1S,5R)-6-[2-(tetrazol-1-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide?
N,N-dimethyl-2-[(1S,5R)-6-[2-(tetrazol-1-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide has a molecular weight of 321.39 g/mol, XLogP of -1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1S,5R)-6-[2-(tetrazol-1-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide is sourced from PubChem (CID 72868801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).