(5R)-5-[3-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione

C19H24FN3O4 — CID 92582884

IUPAC(5R)-5-[3-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(CCC(=O)N2CCC[C@@H](COc3ccccc3F)C2)NC(=O)NC1=O
InChIInChI=1S/C19H24FN3O4/c1-19(17(25)21-18(26)22-19)9-8-16(24)23-10-4-5-13(11-23)12-27-15-7-3-2-6-14(15)20/h2-3,6-7,13H,4-5,8-12H2,1H3,(H2,21,22,25,26)/t13-,19-/m1/s1
InChIKeyBTVKOYITKRAWJV-BFUOFWGJSA-N
MW377.42 g/mol
LogP1.82
Rot. Bonds6

About (5R)-5-[3-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione

(5R)-5-[3-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 92582884) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is (5R)-5-[3-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[3-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID92582884
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name(5R)-5-[3-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(CCC(=O)N2CCC[C@@H](COc3ccccc3F)C2)NC(=O)NC1=O
InChIInChI=1S/C19H24FN3O4/c1-19(17(25)21-18(26)22-19)9-8-16(24)23-10-4-5-13(11-23)12-27-15-7-3-2-6-14(15)20/h2-3,6-7,13H,4-5,8-12H2,1H3,(H2,21,22,25,26)/t13-,19-/m1/s1
InChIKeyBTVKOYITKRAWJV-BFUOFWGJSA-N
XLogP1.82
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 162679483
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 110638619
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70712182
1-[2-[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95860963
(4S)-4-[(3R)-3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-5,5-dimethyloxolan-2-one
CID 92582908
3-(2-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43403252
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429453
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110638610
1-[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-one
CID 92584835
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623
N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide
CID 119071247
3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 46969823

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[3-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 92582884) is (5R)-5-[3-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[3-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[3-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is C[C@]1(CCC(=O)N2CCC[C@@H](COc3ccccc3F)C2)NC(=O)NC1=O.
What is the InChIKey of (5R)-5-[3-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is BTVKOYITKRAWJV-BFUOFWGJSA-N. The full InChI is InChI=1S/C19H24FN3O4/c1-19(17(25)21-18(26)22-19)9-8-16(24)23-10-4-5-13(11-23)12-27-15-7-3-2-6-14(15)20/h2-3,6-7,13H,4-5,8-12H2,1H3,(H2,21,22,25,26)/t13-,19-/m1/s1.
What are the key properties of (5R)-5-[3-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-[3-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 377.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 92582884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).