1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one

C20H30FN3O — CID 95713603

IUPAC1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one
SMILESCN1CCC(CCC(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)CC1
InChIInChI=1S/C20H30FN3O/c1-23-12-9-16(10-13-23)7-8-20(25)24-11-3-6-19(15-24)22-18-5-2-4-17(21)14-18/h2,4-5,14,16,19,22H,3,6-13,15H2,1H3/t19-/m1/s1
InChIKeyDHXNLHZZPSIGFP-LJQANCHMSA-N
MW347.48 g/mol
LogP3.35
Rot. Bonds5

About 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one

1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one (PubChem CID 95713603) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one
PubChem CID95713603
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one
SMILESCN1CCC(CCC(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)CC1
InChIInChI=1S/C20H30FN3O/c1-23-12-9-16(10-13-23)7-8-20(25)24-11-3-6-19(15-24)22-18-5-2-4-17(21)14-18/h2,4-5,14,16,19,22H,3,6-13,15H2,1H3/t19-/m1/s1
InChIKeyDHXNLHZZPSIGFP-LJQANCHMSA-N
XLogP3.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone
CID 25370122
1-[3-(3-fluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
CID 24816937
1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 26321736
1-[3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 45222417
1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 25447576
N-[4-[(3R)-3-(3-fluoroanilino)piperidine-1-carbonyl]phenyl]acetamide
CID 25380229
2-chloro-1-[(3S)-3-[3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 146567789
[3-(3-fluoroanilino)piperidin-1-yl]-thiophen-3-ylmethanone
CID 24791859
4-(1,3-dihydroisoindol-2-yl)-1-[(3R)-3-(4-fluoroanilino)piperidin-1-yl]butan-1-one
CID 25488493
[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 95725177
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one
CID 24791061
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-methylsulfanylethanone
CID 42415603

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one (CID 95713603) is 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one is CN1CCC(CCC(=O)N2CCC[C@@H](Nc3cccc(F)c3)C2)CC1.
What is the InChIKey of 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one?
The InChIKey is DHXNLHZZPSIGFP-LJQANCHMSA-N. The full InChI is InChI=1S/C20H30FN3O/c1-23-12-9-16(10-13-23)7-8-20(25)24-11-3-6-19(15-24)22-18-5-2-4-17(21)14-18/h2,4-5,14,16,19,22H,3,6-13,15H2,1H3/t19-/m1/s1.
What are the key properties of 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one?
1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one has a molecular weight of 347.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-3-(1-methylpiperidin-4-yl)propan-1-one is sourced from PubChem (CID 95713603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).