(5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione

C19H26N4O4 — CID 139581796

IUPAC(5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCCOc1cccc(N2CCN(C(=O)CC[C@]3(C)NC(=O)NC3=O)CC2)c1
InChIInChI=1S/C19H26N4O4/c1-3-27-15-6-4-5-14(13-15)22-9-11-23(12-10-22)16(24)7-8-19(2)17(25)20-18(26)21-19/h4-6,13H,3,7-12H2,1-2H3,(H2,20,21,25,26)/t19-/m0/s1
InChIKeyHNEWCPFKEHYNKS-IBGZPJMESA-N
MW374.44 g/mol
LogP1.11
Rot. Bonds6

About (5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione

(5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 139581796) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID139581796
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name(5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCCOc1cccc(N2CCN(C(=O)CC[C@]3(C)NC(=O)NC3=O)CC2)c1
InChIInChI=1S/C19H26N4O4/c1-3-27-15-6-4-5-14(13-15)22-9-11-23(12-10-22)16(24)7-8-19(2)17(25)20-18(26)21-19/h4-6,13H,3,7-12H2,1-2H3,(H2,20,21,25,26)/t19-/m0/s1
InChIKeyHNEWCPFKEHYNKS-IBGZPJMESA-N
XLogP1.11
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121448965
(5R)-5-[3-[4-(4-chloro-3,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121449011
5-[3-[4-(4-fluoro-3,5-dimethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 155773708
5-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121438005
(5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 51592543
5-(4-chlorophenyl)-5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437904
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(4-methylsulfanylphenyl)imidazolidine-2,4-dione
CID 137468170
5-methyl-5-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione;molecular hydrogen
CID 145414351
5-[3-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437573
1-(3-ethoxyphenyl)piperazine
CID 14519634
[4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 129043282
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-[4-[(dimethylamino)methyl]phenyl]imidazolidine-2,4-dione
CID 121437807

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 139581796) is (5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is CCOc1cccc(N2CCN(C(=O)CC[C@]3(C)NC(=O)NC3=O)CC2)c1.
What is the InChIKey of (5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is HNEWCPFKEHYNKS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N4O4/c1-3-27-15-6-4-5-14(13-15)22-9-11-23(12-10-22)16(24)7-8-19(2)17(25)20-18(26)21-19/h4-6,13H,3,7-12H2,1-2H3,(H2,20,21,25,26)/t19-/m0/s1.
What are the key properties of (5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
(5S)-5-[3-[4-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 1.11, 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-(3-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 139581796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).