(4R)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one

C19H25F2N3O3 — CID 124596683

IUPAC(4R)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one
SMILESNCCCOC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1
InChIInChI=1S/C19H25F2N3O3/c20-14-2-3-17(16(21)11-14)24-12-13(10-18(24)25)19(26)23-7-4-15(5-8-23)27-9-1-6-22/h2-3,11,13,15H,1,4-10,12,22H2/t13-/m1/s1
InChIKeyYEFDXMILDCXREW-CYBMUJFWSA-N
MW381.42 g/mol
LogP1.67
Rot. Bonds6

About (4R)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one

(4R)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one (PubChem CID 124596683) has the molecular formula C19H25F2N3O3 and a molecular weight of 381.42 g/mol. Its IUPAC name is (4R)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one
PubChem CID124596683
Molecular FormulaC19H25F2N3O3
Molecular Weight381.42 g/mol
Exact Mass381.19
IUPAC Name(4R)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one
SMILESNCCCOC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1
InChIInChI=1S/C19H25F2N3O3/c20-14-2-3-17(16(21)11-14)24-12-13(10-18(24)25)19(26)23-7-4-15(5-8-23)27-9-1-6-22/h2-3,11,13,15H,1,4-10,12,22H2/t13-/m1/s1
InChIKeyYEFDXMILDCXREW-CYBMUJFWSA-N
XLogP1.67
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 124596709
1-(2,4-difluorophenyl)-4-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55622618
1-(2,4-difluorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561630
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 119623296
1-(2-fluoro-4-methylphenyl)-4-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 56811933
1-(2,4-difluorophenyl)-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119540176
4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 113190652
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(2,4-difluorophenyl)cyclopropyl]methanone
CID 119663551
1-(2,4-difluorophenyl)-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 56544444
4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119661802
1-(2,4-difluorophenyl)-4-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119490260
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone;hydrochloride
CID 119662482

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one (CID 124596683) is (4R)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one is NCCCOC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1.
What is the InChIKey of (4R)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one?
The InChIKey is YEFDXMILDCXREW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25F2N3O3/c20-14-2-3-17(16(21)11-14)24-12-13(10-18(24)25)19(26)23-7-4-15(5-8-23)27-9-1-6-22/h2-3,11,13,15H,1,4-10,12,22H2/t13-/m1/s1.
What are the key properties of (4R)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one?
(4R)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one has a molecular weight of 381.42 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 124596683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).