1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one

C18H25FN2O — CID 119621964

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one
SMILESCC(C(=O)N1CCC(NCC2CC2)CC1)c1cccc(F)c1
InChIInChI=1S/C18H25FN2O/c1-13(15-3-2-4-16(19)11-15)18(22)21-9-7-17(8-10-21)20-12-14-5-6-14/h2-4,11,13-14,17,20H,5-10,12H2,1H3
InChIKeyZELWLTYWQILQNB-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.92
Rot. Bonds5

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one (PubChem CID 119621964) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one
PubChem CID119621964
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one
SMILESCC(C(=O)N1CCC(NCC2CC2)CC1)c1cccc(F)c1
InChIInChI=1S/C18H25FN2O/c1-13(15-3-2-4-16(19)11-15)18(22)21-9-7-17(8-10-21)20-12-14-5-6-14/h2-4,11,13-14,17,20H,5-10,12H2,1H3
InChIKeyZELWLTYWQILQNB-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one with MolForge

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Related Compounds

2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119624978
N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine
CID 81493286
2-(3-fluorophenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119538803
1-[4-[1-(3-fluorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747833
2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561844
4-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(3-fluorophenyl)-2-methylbutane-1,4-dione;hydrochloride
CID 119622521
2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119625550
1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434840
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride
CID 119621849
2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622024
2-(3-methoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119560528
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 121230409

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one (CID 119621964) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one is CC(C(=O)N1CCC(NCC2CC2)CC1)c1cccc(F)c1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one?
The InChIKey is ZELWLTYWQILQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-13(15-3-2-4-16(19)11-15)18(22)21-9-7-17(8-10-21)20-12-14-5-6-14/h2-4,11,13-14,17,20H,5-10,12H2,1H3.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one has a molecular weight of 304.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 119621964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).