1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one

C18H25F2N3O2 — CID 125003770

IUPAC1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1
InChIInChI=1S/C18H25F2N3O2/c19-18(20)6-9-22(10-7-18)13-17(25)5-11-23(14-17)16(24)4-3-15-2-1-8-21-12-15/h1-2,8,12,25H,3-7,9-11,13-14H2/t17-/m0/s1
InChIKeySTURVGILDPSERY-KRWDZBQOSA-N
MW353.41 g/mol
LogP1.71
Rot. Bonds5

About 1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one

1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 125003770) has the molecular formula C18H25F2N3O2 and a molecular weight of 353.41 g/mol. Its IUPAC name is 1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID125003770
Molecular FormulaC18H25F2N3O2
Molecular Weight353.41 g/mol
Exact Mass353.19
IUPAC Name1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1
InChIInChI=1S/C18H25F2N3O2/c19-18(20)6-9-22(10-7-18)13-17(25)5-11-23(14-17)16(24)4-3-15-2-1-8-21-12-15/h1-2,8,12,25H,3-7,9-11,13-14H2/t17-/m0/s1
InChIKeySTURVGILDPSERY-KRWDZBQOSA-N
XLogP1.71
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 110108994
[3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110108998
(E)-1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 124942060
1-[4-hydroxy-4-(phenoxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 155990905
1-[3-(4-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 136539354
1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one
CID 97393132
1-[2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-3-pyridin-3-ylpropan-1-one
CID 97392779
1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 115304597
1-[7-(cyclopentylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 118746887
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 115276545
1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one
CID 124990450
1-[9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-3-ylpropan-1-one
CID 45215852

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one (CID 125003770) is 1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one is O=C(CCc1cccnc1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1.
What is the InChIKey of 1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is STURVGILDPSERY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25F2N3O2/c19-18(20)6-9-22(10-7-18)13-17(25)5-11-23(14-17)16(24)4-3-15-2-1-8-21-12-15/h1-2,8,12,25H,3-7,9-11,13-14H2/t17-/m0/s1.
What are the key properties of 1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one?
1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 353.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 125003770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).