1-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone

C16H26N2O — CID 126832728

IUPAC1-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
SMILESO=C(CC1CC2CCC1C2)N1CCC(N2CCC2)C1
InChIInChI=1S/C16H26N2O/c19-16(10-14-9-12-2-3-13(14)8-12)18-7-4-15(11-18)17-5-1-6-17/h12-15H,1-11H2
InChIKeyQPBHTGJPTUEWKB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.12
Rot. Bonds3

About 1-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone

1-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone (PubChem CID 126832728) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone.

Molecular Properties

Compound Name1-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
PubChem CID126832728
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
SMILESO=C(CC1CC2CCC1C2)N1CCC(N2CCC2)C1
InChIInChI=1S/C16H26N2O/c19-16(10-14-9-12-2-3-13(14)8-12)18-7-4-15(11-18)17-5-1-6-17/h12-15H,1-11H2
InChIKeyQPBHTGJPTUEWKB-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloropyrrolidin-1-yl)ethanone
CID 63398230
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079735
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079737
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 102978450
1-(4-amino-3-methylpiperidin-1-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 79867611
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509915
1-(4-acetylpiperazin-1-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 78783667
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 114960312
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(2-chloroethyl)piperidin-1-yl]ethanone
CID 63395977
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 47024305
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 113344037
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(triazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 127643910

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
The IUPAC name of 1-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone (CID 126832728) is 1-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone.
What is the SMILES notation for 1-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
The canonical SMILES for 1-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone is O=C(CC1CC2CCC1C2)N1CCC(N2CCC2)C1.
What is the InChIKey of 1-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
The InChIKey is QPBHTGJPTUEWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c19-16(10-14-9-12-2-3-13(14)8-12)18-7-4-15(11-18)17-5-1-6-17/h12-15H,1-11H2.
What are the key properties of 1-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
1-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone has a molecular weight of 262.40 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone is sourced from PubChem (CID 126832728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).