[3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone

C17H23FN2O — CID 83997186

IUPAC[3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCCC(NCC2CCC2)C1
InChIInChI=1S/C17H23FN2O/c18-16-9-2-1-8-15(16)17(21)20-10-4-7-14(12-20)19-11-13-5-3-6-13/h1-2,8-9,13-14,19H,3-7,10-12H2
InChIKeyMWTNYPFWVMSKSO-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.82
Rot. Bonds4

About [3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone

[3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 83997186) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is [3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone
PubChem CID83997186
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name[3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCCC(NCC2CCC2)C1
InChIInChI=1S/C17H23FN2O/c18-16-9-2-1-8-15(16)17(21)20-10-4-7-14(12-20)19-11-13-5-3-6-13/h1-2,8-9,13-14,19H,3-7,10-12H2
InChIKeyMWTNYPFWVMSKSO-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505160
[3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83997879
(2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844111
[4-[[(3S)-1-(2-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 95097733
(2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
CID 127245492
[3-(bromomethyl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 80667822
[(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone
CID 28766858
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46024614
(3R)-1-(2-fluorobenzoyl)-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94367783
(3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 45192484
[1-(2-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3820047

Frequently Asked Questions

What is the IUPAC name of [3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone (CID 83997186) is [3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCCC(NCC2CCC2)C1.
What is the InChIKey of [3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is MWTNYPFWVMSKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-16-9-2-1-8-15(16)17(21)20-10-4-7-14(12-20)19-11-13-5-3-6-13/h1-2,8-9,13-14,19H,3-7,10-12H2.
What are the key properties of [3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone?
[3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 290.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 83997186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).