(2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone

C21H25FN2O2 — CID 119126691

IUPAC(2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
SMILESCC1CC1c1ccc(CNC2CCN(C(=O)c3ccccc3F)CC2)o1
InChIInChI=1S/C21H25FN2O2/c1-14-12-18(14)20-7-6-16(26-20)13-23-15-8-10-24(11-9-15)21(25)17-4-2-3-5-19(17)22/h2-7,14-15,18,23H,8-13H2,1H3
InChIKeyQVBVRRRUJFDFHC-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.94
Rot. Bonds5

About (2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone

(2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone (PubChem CID 119126691) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
PubChem CID119126691
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name(2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
SMILESCC1CC1c1ccc(CNC2CCN(C(=O)c3ccccc3F)CC2)o1
InChIInChI=1S/C21H25FN2O2/c1-14-12-18(14)20-7-6-16(26-20)13-23-15-8-10-24(11-9-15)21(25)17-4-2-3-5-19(17)22/h2-7,14-15,18,23H,8-13H2,1H3
InChIKeyQVBVRRRUJFDFHC-UHFFFAOYSA-N
XLogP3.94
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone
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(2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone
CID 119111056
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CID 108553997
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2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
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N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
(3S)-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-pyrimidin-2-ylpiperidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone (CID 119126691) is (2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone is CC1CC1c1ccc(CNC2CCN(C(=O)c3ccccc3F)CC2)o1.
What is the InChIKey of (2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone?
The InChIKey is QVBVRRRUJFDFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-14-12-18(14)20-7-6-16(26-20)13-23-15-8-10-24(11-9-15)21(25)17-4-2-3-5-19(17)22/h2-7,14-15,18,23H,8-13H2,1H3.
What are the key properties of (2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone has a molecular weight of 356.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 119126691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).