2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride

C17H30ClN3O2 — CID 91659753

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCC(C)C(=O)N1CCC(NC(=O)CC2CC3CCC(C2)N3)C1.Cl
InChIInChI=1S/C17H29N3O2.ClH/c1-11(2)17(22)20-6-5-15(10-20)19-16(21)9-12-7-13-3-4-14(8-12)18-13;/h11-15,18H,3-10H2,1-2H3,(H,19,21);1H
InChIKeyVKSOGRZIGHLAKS-UHFFFAOYSA-N
MW343.90 g/mol
LogP1.70
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride (PubChem CID 91659753) has the molecular formula C17H30ClN3O2 and a molecular weight of 343.90 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride
PubChem CID91659753
Molecular FormulaC17H30ClN3O2
Molecular Weight343.90 g/mol
Exact Mass343.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCC(C)C(=O)N1CCC(NC(=O)CC2CC3CCC(C2)N3)C1.Cl
InChIInChI=1S/C17H29N3O2.ClH/c1-11(2)17(22)20-6-5-15(10-20)19-16(21)9-12-7-13-3-4-14(8-12)18-13;/h11-15,18H,3-10H2,1-2H3,(H,19,21);1H
InChIKeyVKSOGRZIGHLAKS-UHFFFAOYSA-N
XLogP1.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide
CID 119820661
2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
CID 159759290
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride
CID 119853532
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cycloheptylacetamide
CID 79607418
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methylhexan-2-yl)acetamide;hydrochloride
CID 119674904
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)acetamide;hydrochloride
CID 119819142
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CID 119787865
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 79607442
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119782035
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylpiperidin-3-yl)acetamide
CID 119888772
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119873198

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride (CID 91659753) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride is CC(C)C(=O)N1CCC(NC(=O)CC2CC3CCC(C2)N3)C1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride?
The InChIKey is VKSOGRZIGHLAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.ClH/c1-11(2)17(22)20-6-5-15(10-20)19-16(21)9-12-7-13-3-4-14(8-12)18-13;/h11-15,18H,3-10H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 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-[1-(2-methylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 91659753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).