(5R)-1-cyclopentyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one

C21H27FN2O3 — CID 97156162

IUPAC(5R)-1-cyclopentyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one
SMILESO=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CC(OCc2ccccc2F)C1
InChIInChI=1S/C21H27FN2O3/c22-19-8-4-1-5-16(19)14-27-18-12-23(13-18)21(26)15-9-10-20(25)24(11-15)17-6-2-3-7-17/h1,4-5,8,15,17-18H,2-3,6-7,9-14H2/t15-/m1/s1
InChIKeyLQRNYJSSGVBOEB-OAHLLOKOSA-N
MW374.46 g/mol
LogP2.73
Rot. Bonds5

About (5R)-1-cyclopentyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one

(5R)-1-cyclopentyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one (PubChem CID 97156162) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is (5R)-1-cyclopentyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name(5R)-1-cyclopentyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one
PubChem CID97156162
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC Name(5R)-1-cyclopentyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one
SMILESO=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CC(OCc2ccccc2F)C1
InChIInChI=1S/C21H27FN2O3/c22-19-8-4-1-5-16(19)14-27-18-12-23(13-18)21(26)15-9-10-20(25)24(11-15)17-6-2-3-7-17/h1,4-5,8,15,17-18H,2-3,6-7,9-14H2/t15-/m1/s1
InChIKeyLQRNYJSSGVBOEB-OAHLLOKOSA-N
XLogP2.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-1-ethyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one
CID 97143515
4-(cyclopropanecarbonyl)-6-[(2-fluorophenyl)methoxy]-1-(2-methylpropyl)-1,4-diazepan-2-one
CID 45164304
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 46654438
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46028682
1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45195395
(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223153
(6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26220986
1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 93223160
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97189789
(5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one
CID 26318760

Frequently Asked Questions

What is the IUPAC name of (5R)-1-cyclopentyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one?
The IUPAC name of (5R)-1-cyclopentyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one (CID 97156162) is (5R)-1-cyclopentyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for (5R)-1-cyclopentyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for (5R)-1-cyclopentyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one is O=C([C@@H]1CCC(=O)N(C2CCCC2)C1)N1CC(OCc2ccccc2F)C1.
What is the InChIKey of (5R)-1-cyclopentyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one?
The InChIKey is LQRNYJSSGVBOEB-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27FN2O3/c22-19-8-4-1-5-16(19)14-27-18-12-23(13-18)21(26)15-9-10-20(25)24(11-15)17-6-2-3-7-17/h1,4-5,8,15,17-18H,2-3,6-7,9-14H2/t15-/m1/s1.
What are the key properties of (5R)-1-cyclopentyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one?
(5R)-1-cyclopentyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one has a molecular weight of 374.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-cyclopentyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 97156162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).