1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone

C16H23N3O — CID 96582023

IUPAC1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
SMILESC[C@H]1CCCCN1C1CN(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C16H23N3O/c1-13-5-2-3-8-19(13)15-11-18(12-15)16(20)9-14-6-4-7-17-10-14/h4,6-7,10,13,15H,2-3,5,8-9,11-12H2,1H3/t13-/m0/s1
InChIKeyOFNBLDDLZDSUFF-ZDUSSCGKSA-N
MW273.38 g/mol
LogP1.71
Rot. Bonds3

About 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone

1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 96582023) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID96582023
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
SMILESC[C@H]1CCCCN1C1CN(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C16H23N3O/c1-13-5-2-3-8-19(13)15-11-18(12-15)16(20)9-14-6-4-7-17-10-14/h4,6-7,10,13,15H,2-3,5,8-9,11-12H2,1H3/t13-/m0/s1
InChIKeyOFNBLDDLZDSUFF-ZDUSSCGKSA-N
XLogP1.71
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone with MolForge

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Related Compounds

3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine
CID 124749207
1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 79879332
2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone
CID 96579253
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 45225552
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 112630744
1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 110468074
1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 42519173
methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate
CID 169210710
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
2-(azepan-1-yl)-1-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]ethanone
CID 131947868
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 115276739

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone (CID 96582023) is 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone is C[C@H]1CCCCN1C1CN(C(=O)Cc2cccnc2)C1.
What is the InChIKey of 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is OFNBLDDLZDSUFF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-5-2-3-8-19(13)15-11-18(12-15)16(20)9-14-6-4-7-17-10-14/h4,6-7,10,13,15H,2-3,5,8-9,11-12H2,1H3/t13-/m0/s1.
What are the key properties of 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone?
1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 273.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 96582023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).