3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one

C17H24FN3O — CID 120980502

IUPAC3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN(Cc1ccccc1F)C1CC1)N1CCNCC1
InChIInChI=1S/C17H24FN3O/c18-16-4-2-1-3-14(16)13-21(15-5-6-15)10-7-17(22)20-11-8-19-9-12-20/h1-4,15,19H,5-13H2
InChIKeyNUZFEXMKBVFHGJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.61
Rot. Bonds6

About 3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one

3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one (PubChem CID 120980502) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one
PubChem CID120980502
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN(Cc1ccccc1F)C1CC1)N1CCNCC1
InChIInChI=1S/C17H24FN3O/c18-16-4-2-1-3-14(16)13-21(15-5-6-15)10-7-17(22)20-11-8-19-9-12-20/h1-4,15,19H,5-13H2
InChIKeyNUZFEXMKBVFHGJ-UHFFFAOYSA-N
XLogP1.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981560
3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981575
3-chloro-N-cyclopropyl-4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779560
3-[(2,4-difluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120980650
3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one
CID 83925483
3-[(2-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 62543752
N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779791
3-[(2,6-difluorophenyl)methyl-ethylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981439
N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139188
3-[1-(2-fluorophenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 62977945
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 87014243
2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402946

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one (CID 120980502) is 3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one is O=C(CCN(Cc1ccccc1F)C1CC1)N1CCNCC1.
What is the InChIKey of 3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is NUZFEXMKBVFHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c18-16-4-2-1-3-14(16)13-21(15-5-6-15)10-7-17(22)20-11-8-19-9-12-20/h1-4,15,19H,5-13H2.
What are the key properties of 3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one?
3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 305.40 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120980502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).