2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide

C16H29N3O — CID 122080455

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)CC1CC2CCC(C1)N2)C1CCNC1
InChIInChI=1S/C16H29N3O/c1-2-7-19(15-5-6-17-11-15)16(20)10-12-8-13-3-4-14(9-12)18-13/h12-15,17-18H,2-11H2,1H3
InChIKeyVFSQLYUOFWEWPJ-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.51
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide (PubChem CID 122080455) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
PubChem CID122080455
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)CC1CC2CCC(C1)N2)C1CCNC1
InChIInChI=1S/C16H29N3O/c1-2-7-19(15-5-6-17-11-15)16(20)10-12-8-13-3-4-14(9-12)18-13/h12-15,17-18H,2-11H2,1H3
InChIKeyVFSQLYUOFWEWPJ-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-piperidin-3-yl-N-propylacetamide
CID 60805879
N-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide
CID 122080444
N'-propyl-N'-pyrrolidin-3-ylpropanediamide
CID 119533204
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide
CID 63638478
3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
2-(2,4-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530519
N-(azetidin-3-yl)-2-cyclohexyl-N-propylacetamide
CID 66183532
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopropylmethyl)-N-propylacetamide;hydrochloride
CID 119676711
2-cyclohexyl-N-ethyl-N-pyrrolidin-3-ylacetamide
CID 60807538
4-cyclopentyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119533250
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide
CID 79607336

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide (CID 122080455) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide is CCCN(C(=O)CC1CC2CCC(C1)N2)C1CCNC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is VFSQLYUOFWEWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-2-7-19(15-5-6-17-11-15)16(20)10-12-8-13-3-4-14(9-12)18-13/h12-15,17-18H,2-11H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 279.43 g/mol, XLogP of 1.51, 5 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-propyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 122080455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).