[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone

C20H30FN3O — CID 42119873

IUPAC[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCC(C)N1CCC(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C20H30FN3O/c1-15(2)23-12-9-16(10-13-23)20(25)24-11-3-4-19(14-24)22-18-7-5-17(21)6-8-18/h5-8,15-16,19,22H,3-4,9-14H2,1-2H3/t19-/m0/s1
InChIKeyICJXMFVIJOAWSY-IBGZPJMESA-N
MW347.48 g/mol
LogP3.35
Rot. Bonds4

About [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone

[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone (PubChem CID 42119873) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
PubChem CID42119873
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCC(C)N1CCC(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C20H30FN3O/c1-15(2)23-12-9-16(10-13-23)20(25)24-11-3-4-19(14-24)22-18-7-5-17(21)6-8-18/h5-8,15-16,19,22H,3-4,9-14H2,1-2H3/t19-/m0/s1
InChIKeyICJXMFVIJOAWSY-IBGZPJMESA-N
XLogP3.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 45235641
cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 25455171
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72839491
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-methylsulfanylethanone
CID 42415603
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 45186042
2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 56883388
4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 45219648
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 24792136
1-(azepan-1-yl)-2-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 95707310
azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone
CID 121368635
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-phenoxyethanone
CID 42147628

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The IUPAC name of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone (CID 42119873) is [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone is CC(C)N1CCC(C(=O)N2CCC[C@H](Nc3ccc(F)cc3)C2)CC1.
What is the InChIKey of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The InChIKey is ICJXMFVIJOAWSY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H30FN3O/c1-15(2)23-12-9-16(10-13-23)20(25)24-11-3-4-19(14-24)22-18-7-5-17(21)6-8-18/h5-8,15-16,19,22H,3-4,9-14H2,1-2H3/t19-/m0/s1.
What are the key properties of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone has a molecular weight of 347.48 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 42119873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).