azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone

C13H24N2O — CID 121368635

IUPACazetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone
SMILESCC(C)N1CCC[C@@H](C(=O)N2CCC2)CC1
InChIInChI=1S/C13H24N2O/c1-11(2)14-7-3-5-12(6-10-14)13(16)15-8-4-9-15/h11-12H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyFHVSNHMDVRBHFC-GFCCVEGCSA-N
MW224.35 g/mol
LogP1.73
Rot. Bonds2

About azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone

azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone (PubChem CID 121368635) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone
PubChem CID121368635
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Nameazetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone
SMILESCC(C)N1CCC[C@@H](C(=O)N2CCC2)CC1
InChIInChI=1S/C13H24N2O/c1-11(2)14-7-3-5-12(6-10-14)13(16)15-8-4-9-15/h11-12H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyFHVSNHMDVRBHFC-GFCCVEGCSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134058373
1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 134058372
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72839491
(3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 118103357
(1-propan-2-ylpiperidin-4-yl)-[4-(1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 177124210
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 168752483
(1-propan-2-ylpiperidin-4-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 168752402
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
tert-butyl 3-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 69136429
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone?
The IUPAC name of azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone (CID 121368635) is azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone?
The canonical SMILES for azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone is CC(C)N1CCC[C@@H](C(=O)N2CCC2)CC1.
What is the InChIKey of azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone?
The InChIKey is FHVSNHMDVRBHFC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)14-7-3-5-12(6-10-14)13(16)15-8-4-9-15/h11-12H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone?
azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone has a molecular weight of 224.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone is sourced from PubChem (CID 121368635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).