(2R)-2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one

C18H27FN2O2 — CID 124757480

IUPAC(2R)-2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOCCCN(Cc1ccc(F)cc1)[C@H](C)C(=O)N1CCCC1
InChIInChI=1S/C18H27FN2O2/c1-15(18(22)20-10-3-4-11-20)21(12-5-13-23-2)14-16-6-8-17(19)9-7-16/h6-9,15H,3-5,10-14H2,1-2H3/t15-/m1/s1
InChIKeyWLHSUZTWFVSZSA-OAHLLOKOSA-N
MW322.42 g/mol
LogP2.68
Rot. Bonds8

About (2R)-2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one

(2R)-2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 124757480) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is (2R)-2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID124757480
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name(2R)-2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOCCCN(Cc1ccc(F)cc1)[C@H](C)C(=O)N1CCCC1
InChIInChI=1S/C18H27FN2O2/c1-15(18(22)20-10-3-4-11-20)21(12-5-13-23-2)14-16-6-8-17(19)9-7-16/h6-9,15H,3-5,10-14H2,1-2H3/t15-/m1/s1
InChIKeyWLHSUZTWFVSZSA-OAHLLOKOSA-N
XLogP2.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-aminopropyl(benzyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 107367919
2-[methyl-[(4-methylphenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
CID 78786460
2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one
CID 61015072
N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 22660909
2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78786454
2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 78786280
2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide
CID 133213000
ethyl (2R)-2-[[2-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-(3-methoxypropyl)amino]propanoate
CID 7499435
2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43137255
(2R)-2-[(3-methoxy-4-methylsulfanylphenyl)methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 95278906
1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713119
2-[3-aminopropyl(2-methoxyethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 63287403

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 124757480) is (2R)-2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one is COCCCN(Cc1ccc(F)cc1)[C@H](C)C(=O)N1CCCC1.
What is the InChIKey of (2R)-2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WLHSUZTWFVSZSA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-15(18(22)20-10-3-4-11-20)21(12-5-13-23-2)14-16-6-8-17(19)9-7-16/h6-9,15H,3-5,10-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
(2R)-2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 322.42 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 124757480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).