5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidin-4-one

C20H29ClN4O3 — CID 146266061

IUPAC5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidin-4-one
SMILESCOCC1(CC(C)C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)C2)NCNC1=O
InChIInChI=1S/C20H29ClN4O3/c1-14(10-20(12-28-3)19(27)22-13-23-20)18(26)24-7-8-25(15(2)11-24)17-6-4-5-16(21)9-17/h4-6,9,14-15,23H,7-8,10-13H2,1-3H3,(H,22,27)/t14?,15-,20?/m0/s1
InChIKeyFAHXDZGNXOQVFJ-CHWWFWEZSA-N
MW408.93 g/mol
LogP1.47
Rot. Bonds6

About 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidin-4-one

5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidin-4-one (PubChem CID 146266061) has the molecular formula C20H29ClN4O3 and a molecular weight of 408.93 g/mol. Its IUPAC name is 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidin-4-one
PubChem CID146266061
Molecular FormulaC20H29ClN4O3
Molecular Weight408.93 g/mol
Exact Mass408.19
IUPAC Name5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidin-4-one
SMILESCOCC1(CC(C)C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)C2)NCNC1=O
InChIInChI=1S/C20H29ClN4O3/c1-14(10-20(12-28-3)19(27)22-13-23-20)18(26)24-7-8-25(15(2)11-24)17-6-4-5-16(21)9-17/h4-6,9,14-15,23H,7-8,10-13H2,1-3H3,(H,22,27)/t14?,15-,20?/m0/s1
InChIKeyFAHXDZGNXOQVFJ-CHWWFWEZSA-N
XLogP1.47
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidin-4-one?
The IUPAC name of 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidin-4-one (CID 146266061) is 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidin-4-one.
What is the SMILES notation for 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidin-4-one?
The canonical SMILES for 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidin-4-one is COCC1(CC(C)C(=O)N2CCN(c3cccc(Cl)c3)[C@@H](C)C2)NCNC1=O.
What is the InChIKey of 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidin-4-one?
The InChIKey is FAHXDZGNXOQVFJ-CHWWFWEZSA-N. The full InChI is InChI=1S/C20H29ClN4O3/c1-14(10-20(12-28-3)19(27)22-13-23-20)18(26)24-7-8-25(15(2)11-24)17-6-4-5-16(21)9-17/h4-6,9,14-15,23H,7-8,10-13H2,1-3H3,(H,22,27)/t14?,15-,20?/m0/s1.
What are the key properties of 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidin-4-one?
5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidin-4-one has a molecular weight of 408.93 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidin-4-one is sourced from PubChem (CID 146266061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).