azetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone

C16H29N3O — CID 177134769

IUPACazetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)C1CCN([C@H]2CCN(C(=O)C3CNC3)C2)CC1
InChIInChI=1S/C16H29N3O/c1-12(2)13-3-6-18(7-4-13)15-5-8-19(11-15)16(20)14-9-17-10-14/h12-15,17H,3-11H2,1-2H3/t15-/m0/s1
InChIKeySVIDSHFSFVXIMT-HNNXBMFYSA-N
MW279.43 g/mol
LogP1.17
Rot. Bonds3

About azetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone

azetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 177134769) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is azetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Nameazetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone
PubChem CID177134769
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Nameazetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)C1CCN([C@H]2CCN(C(=O)C3CNC3)C2)CC1
InChIInChI=1S/C16H29N3O/c1-12(2)13-3-6-18(7-4-13)15-5-8-19(11-15)16(20)14-9-17-10-14/h12-15,17H,3-11H2,1-2H3/t15-/m0/s1
InChIKeySVIDSHFSFVXIMT-HNNXBMFYSA-N
XLogP1.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 115740808
pyrrolidin-3-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63167029
(3-piperidin-1-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119877849
piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119344916
1-[3-(4-propan-2-ylpiperidin-1-yl)azetidin-1-yl]ethanone
CID 167480115
(3-morpholin-4-ylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81141484
2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 120997739
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 80553884
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride
CID 130747930
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[(3R)-piperidin-3-yl]methanone
CID 81141639

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of azetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone (CID 177134769) is azetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for azetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for azetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone is CC(C)C1CCN([C@H]2CCN(C(=O)C3CNC3)C2)CC1.
What is the InChIKey of azetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is SVIDSHFSFVXIMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)13-3-6-18(7-4-13)15-5-8-19(11-15)16(20)14-9-17-10-14/h12-15,17H,3-11H2,1-2H3/t15-/m0/s1.
What are the key properties of azetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone?
azetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 279.43 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-[(3S)-3-(4-propan-2-ylpiperidin-1-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 177134769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).