[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

C19H25FN2O2 — CID 94492735

IUPAC[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C1
InChIInChI=1S/C19H25FN2O2/c1-14-4-2-10-21(12-14)19(24)16-5-3-11-22(13-16)18(23)15-6-8-17(20)9-7-15/h6-9,14,16H,2-5,10-13H2,1H3/t14-,16-/m0/s1
InChIKeyWUDAATVISCHTDI-HOCLYGCPSA-N
MW332.42 g/mol
LogP2.94
Rot. Bonds2

About [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 94492735) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID94492735
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C1
InChIInChI=1S/C19H25FN2O2/c1-14-4-2-10-21(12-14)19(24)16-5-3-11-22(13-16)18(23)15-6-8-17(20)9-7-15/h6-9,14,16H,2-5,10-13H2,1H3/t14-,16-/m0/s1
InChIKeyWUDAATVISCHTDI-HOCLYGCPSA-N
XLogP2.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119516771
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(4-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041850
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799195
1-(azepan-1-yl)-2-[4-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 55466088
(2S)-1-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365938

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (CID 94492735) is [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is C[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C1.
What is the InChIKey of [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is WUDAATVISCHTDI-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-14-4-2-10-21(12-14)19(24)16-5-3-11-22(13-16)18(23)15-6-8-17(20)9-7-15/h6-9,14,16H,2-5,10-13H2,1H3/t14-,16-/m0/s1.
What are the key properties of [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 332.42 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 94492735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).