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4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one

C20H25F2N3O2 — CID 119623296

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(F)cc2F)C1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C20H25F2N3O2/c21-15-3-4-18(17(22)10-15)25-12-14(9-19(25)26)20(27)24-7-5-16(6-8-24)23-11-13-1-2-13/h3-4,10,13-14,16,23H,1-2,5-9,11-12H2
InChIKeyVOXAZUMGMJYTBH-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.31
Rot. Bonds5

About 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one

4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one (PubChem CID 119623296) has the molecular formula C20H25F2N3O2 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one
PubChem CID119623296
Molecular FormulaC20H25F2N3O2
Molecular Weight377.44 g/mol
Exact Mass377.19
IUPAC Name4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(F)cc2F)C1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C20H25F2N3O2/c21-15-3-4-18(17(22)10-15)25-12-14(9-19(25)26)20(27)24-7-5-16(6-8-24)23-11-13-1-2-13/h3-4,10,13-14,16,23H,1-2,5-9,11-12H2
InChIKeyVOXAZUMGMJYTBH-UHFFFAOYSA-N
XLogP2.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one (CID 119623296) is 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccc(F)cc2F)C1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one?
The InChIKey is VOXAZUMGMJYTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O2/c21-15-3-4-18(17(22)10-15)25-12-14(9-19(25)26)20(27)24-7-5-16(6-8-24)23-11-13-1-2-13/h3-4,10,13-14,16,23H,1-2,5-9,11-12H2.
What are the key properties of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one?
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one has a molecular weight of 377.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2,4-difluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 119623296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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