(3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate

C20H19ClFNO3 — CID 40960869

IUPAC(3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate
SMILESO=C(OCc1cccc(F)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H19ClFNO3/c21-17-8-6-15(7-9-17)19(24)23-10-2-4-16(12-23)20(25)26-13-14-3-1-5-18(22)11-14/h1,3,5-9,11,16H,2,4,10,12-13H2/t16-/m1/s1
InChIKeyLOOGHLQKXCXGJL-MRXNPFEDSA-N
MW375.83 g/mol
LogP4.07
Rot. Bonds4

About (3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate

(3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate (PubChem CID 40960869) has the molecular formula C20H19ClFNO3 and a molecular weight of 375.83 g/mol. Its IUPAC name is (3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate
PubChem CID40960869
Molecular FormulaC20H19ClFNO3
Molecular Weight375.83 g/mol
Exact Mass375.10
IUPAC Name(3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate
SMILESO=C(OCc1cccc(F)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H19ClFNO3/c21-17-8-6-15(7-9-17)19(24)23-10-2-4-16(12-23)20(25)26-13-14-3-1-5-18(22)11-14/h1,3,5-9,11,16H,2,4,10,12-13H2/t16-/m1/s1
InChIKeyLOOGHLQKXCXGJL-MRXNPFEDSA-N
XLogP4.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 51455141
(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844152
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42844148
ethyl (3S)-1-(4-chloro-3-fluorobenzoyl)piperidine-3-carboxylate
CID 103876654
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
methyl 1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919125
methyl (3S)-1-(3,4-difluorobenzoyl)piperidine-3-carboxylate
CID 78919478
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223653
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 42925531
ethyl 1-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17119264

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate?
The IUPAC name of (3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate (CID 40960869) is (3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for (3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate?
The canonical SMILES for (3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate is O=C(OCc1cccc(F)c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate?
The InChIKey is LOOGHLQKXCXGJL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19ClFNO3/c21-17-8-6-15(7-9-17)19(24)23-10-2-4-16(12-23)20(25)26-13-14-3-1-5-18(22)11-14/h1,3,5-9,11,16H,2,4,10,12-13H2/t16-/m1/s1.
What are the key properties of (3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate?
(3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate has a molecular weight of 375.83 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 40960869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).