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

C19H24FNO2 — CID 69455656

IUPACcyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C19H24FNO2/c20-17-10-8-14(9-11-17)18(22)16-7-4-12-21(13-16)19(23)15-5-2-1-3-6-15/h8-11,15-16H,1-7,12-13H2/t16-/m0/s1
InChIKeyHMVAWIQWMDPQKB-INIZCTEOSA-N
MW317.40 g/mol
LogP3.83
Rot. Bonds3

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

cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone (PubChem CID 69455656) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
PubChem CID69455656
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Namecyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C19H24FNO2/c20-17-10-8-14(9-11-17)18(22)16-7-4-12-21(13-16)19(23)15-5-2-1-3-6-15/h8-11,15-16H,1-7,12-13H2/t16-/m0/s1
InChIKeyHMVAWIQWMDPQKB-INIZCTEOSA-N
XLogP3.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-1-[(3R)-1,1-dioxothiolane-3-carbonyl]piperidin-3-yl]-(4-fluorophenyl)methanone
CID 100619159
(4-fluorophenyl)-[1-(2-hydroxycyclopentanecarbonyl)piperidin-3-yl]methanone
CID 110014714
2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone
CID 119332026
cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
CID 110394678
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one
CID 119332040
(4-fluorophenyl)-[(3S)-1-(morpholine-4-carbonyl)piperidin-3-yl]methanone
CID 69455638
N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide
CID 110394813
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735
(4-fluorophenyl)-[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]methanone
CID 124859877
1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 25308165

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone (CID 69455656) is cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)C2CCCCC2)C1.
What is the InChIKey of cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone?
The InChIKey is HMVAWIQWMDPQKB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24FNO2/c20-17-10-8-14(9-11-17)18(22)16-7-4-12-21(13-16)19(23)15-5-2-1-3-6-15/h8-11,15-16H,1-7,12-13H2/t16-/m0/s1.
What are the key properties of cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone?
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone has a molecular weight of 317.40 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone is sourced from PubChem (CID 69455656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).