cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

C14H18N2O — CID 42939217

IUPACcyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCC1)N1CCCC1c1ccncc1
InChIInChI=1S/C14H18N2O/c17-14(12-3-1-4-12)16-10-2-5-13(16)11-6-8-15-9-7-11/h6-9,12-13H,1-5,10H2
InChIKeyVTAWQMRTXSVVKF-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.55
Rot. Bonds2

About cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 42939217) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID42939217
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Namecyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCC1)N1CCCC1c1ccncc1
InChIInChI=1S/C14H18N2O/c17-14(12-3-1-4-12)16-10-2-5-13(16)11-6-8-15-9-7-11/h6-9,12-13H,1-5,10H2
InChIKeyVTAWQMRTXSVVKF-UHFFFAOYSA-N
XLogP2.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-pyridin-4-ylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 87002556
(1-benzylpiperidin-4-yl)-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 94665196
(1-benzylpiperidin-4-yl)-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 94665195
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
[(3S)-1-benzylpiperidin-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 98763268
(1-methylsulfonylpiperidin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764368
[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 95583532
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
(1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 65465058
4-oxo-4-(2-pyridin-4-ylpyrrolidin-1-yl)butanoic acid
CID 43578440
cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95730645

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 42939217) is cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is O=C(C1CCC1)N1CCCC1c1ccncc1.
What is the InChIKey of cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is VTAWQMRTXSVVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(12-3-1-4-12)16-10-2-5-13(16)11-6-8-15-9-7-11/h6-9,12-13H,1-5,10H2.
What are the key properties of cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 230.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 42939217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).