(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyrrolidin-1-ylmethanone

C14H25N3O — CID 134790154

IUPAC(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)N1CC2CCC(C1)N2C(=O)N1CCCC1
InChIInChI=1S/C14H25N3O/c1-11(2)16-9-12-5-6-13(10-16)17(12)14(18)15-7-3-4-8-15/h11-13H,3-10H2,1-2H3
InChIKeyXUPQGAFJAGHQRI-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.76
Rot. Bonds1

About (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyrrolidin-1-ylmethanone

(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyrrolidin-1-ylmethanone (PubChem CID 134790154) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyrrolidin-1-ylmethanone
PubChem CID134790154
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)N1CC2CCC(C1)N2C(=O)N1CCCC1
InChIInChI=1S/C14H25N3O/c1-11(2)16-9-12-5-6-13(10-16)17(12)14(18)15-7-3-4-8-15/h11-13H,3-10H2,1-2H3
InChIKeyXUPQGAFJAGHQRI-UHFFFAOYSA-N
XLogP1.76
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-Fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 129269350
(3-Ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129269838
(3-Tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 137444438
(3-Fluoroazetidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 140929197
(3-Propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 145770813
3-(N,N-diethylcarbamyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane monohydrochloride
CID 21545483
N,N-diethyl-3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 290117
N-ethyl-8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
CID 423351
N,N-diethyl-8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
CID 423352
N,N-diethyl-1,4-diazabicyclo[3.2.1]octane-4-carboxamide
CID 12374081
N,N-diethyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 21545489
8-(N-Ethylcarbamyl)-3-methyl-3,8-diazabicyclo[3.2.1]octane
CID 21545494

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyrrolidin-1-ylmethanone (CID 134790154) is (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyrrolidin-1-ylmethanone is CC(C)N1CC2CCC(C1)N2C(=O)N1CCCC1.
What is the InChIKey of (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is XUPQGAFJAGHQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)16-9-12-5-6-13(10-16)17(12)14(18)15-7-3-4-8-15/h11-13H,3-10H2,1-2H3.
What are the key properties of (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyrrolidin-1-ylmethanone?
(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 251.37 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134790154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).