[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

C17H21FN2O2 — CID 932369

IUPAC[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(F)c1)N1CCC[C@@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C17H21FN2O2/c18-15-7-3-5-13(11-15)16(21)20-10-4-6-14(12-20)17(22)19-8-1-2-9-19/h3,5,7,11,14H,1-2,4,6,8-10,12H2/t14-/m1/s1
InChIKeyGTFUNIQBBNAIKX-CQSZACIVSA-N
MW304.36 g/mol
LogP2.30
Rot. Bonds2

About [(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 932369) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is [(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID932369
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(F)c1)N1CCC[C@@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C17H21FN2O2/c18-15-7-3-5-13(11-15)16(21)20-10-4-6-14(12-20)17(22)19-8-1-2-9-19/h3,5,7,11,14H,1-2,4,6,8-10,12H2/t14-/m1/s1
InChIKeyGTFUNIQBBNAIKX-CQSZACIVSA-N
XLogP2.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(3-fluorophenyl)-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95333696
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 63767654
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 932369) is [(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1cccc(F)c1)N1CCC[C@@H](C(=O)N2CCCC2)C1.
What is the InChIKey of [(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GTFUNIQBBNAIKX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21FN2O2/c18-15-7-3-5-13(11-15)16(21)20-10-4-6-14(12-20)17(22)19-8-1-2-9-19/h3,5,7,11,14H,1-2,4,6,8-10,12H2/t14-/m1/s1.
What are the key properties of [(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 304.36 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 932369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).