(5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C18H23N3O5 — CID 95873697

IUPAC(5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCOc1ccc(OC2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)cc1
InChIInChI=1S/C18H23N3O5/c1-25-12-2-4-13(5-3-12)26-14-8-10-21(11-9-14)16(22)7-6-15-17(23)20-18(24)19-15/h2-5,14-15H,6-11H2,1H3,(H2,19,20,23,24)/t15-/m0/s1
InChIKeyRCLKRRZQIASXEP-HNNXBMFYSA-N
MW361.40 g/mol
LogP1.05
Rot. Bonds6

About (5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

(5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 95873697) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is (5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID95873697
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name(5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCOc1ccc(OC2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)cc1
InChIInChI=1S/C18H23N3O5/c1-25-12-2-4-13(5-3-12)26-14-8-10-21(11-9-14)16(22)7-6-15-17(23)20-18(24)19-15/h2-5,14-15H,6-11H2,1H3,(H2,19,20,23,24)/t15-/m0/s1
InChIKeyRCLKRRZQIASXEP-HNNXBMFYSA-N
XLogP1.05
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
(5R)-5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 25355650
1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one
CID 70708600
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864
(5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97114558
2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70729934
(5S)-5-[(4-chlorophenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42449550
(5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 165420309
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 96577888
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 70729575

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 95873697) is (5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is COc1ccc(OC2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)cc1.
What is the InChIKey of (5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is RCLKRRZQIASXEP-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-25-12-2-4-13(5-3-12)26-14-8-10-21(11-9-14)16(22)7-6-15-17(23)20-18(24)19-15/h2-5,14-15H,6-11H2,1H3,(H2,19,20,23,24)/t15-/m0/s1.
What are the key properties of (5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
(5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 361.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95873697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).