(5S)-9-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazine-1-carbonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C19H22F2N4O3 — CID 177036769

IUPAC(5S)-9-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazine-1-carbonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESC[C@H]1CN(C(=O)C2CCC[C@]23NC(=O)NC3=O)CCN1c1ccc(F)c(F)c1
InChIInChI=1S/C19H22F2N4O3/c1-11-10-24(7-8-25(11)12-4-5-14(20)15(21)9-12)16(26)13-3-2-6-19(13)17(27)22-18(28)23-19/h4-5,9,11,13H,2-3,6-8,10H2,1H3,(H2,22,23,27,28)/t11-,13?,19-/m0/s1
InChIKeyMWMMHUKGGQXXEJ-OLAOAFLTSA-N
MW392.41 g/mol
LogP1.38
Rot. Bonds2

About (5S)-9-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazine-1-carbonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

(5S)-9-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazine-1-carbonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 177036769) has the molecular formula C19H22F2N4O3 and a molecular weight of 392.41 g/mol. Its IUPAC name is (5S)-9-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazine-1-carbonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5S)-9-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazine-1-carbonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID177036769
Molecular FormulaC19H22F2N4O3
Molecular Weight392.41 g/mol
Exact Mass392.17
IUPAC Name(5S)-9-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazine-1-carbonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESC[C@H]1CN(C(=O)C2CCC[C@]23NC(=O)NC3=O)CCN1c1ccc(F)c(F)c1
InChIInChI=1S/C19H22F2N4O3/c1-11-10-24(7-8-25(11)12-4-5-14(20)15(21)9-12)16(26)13-3-2-6-19(13)17(27)22-18(28)23-19/h4-5,9,11,13H,2-3,6-8,10H2,1H3,(H2,22,23,27,28)/t11-,13?,19-/m0/s1
InChIKeyMWMMHUKGGQXXEJ-OLAOAFLTSA-N
XLogP1.38
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-9-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazine-1-carbonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-9-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazine-1-carbonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5S)-9-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazine-1-carbonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 177036769) is (5S)-9-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazine-1-carbonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5S)-9-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazine-1-carbonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5S)-9-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazine-1-carbonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is C[C@H]1CN(C(=O)C2CCC[C@]23NC(=O)NC3=O)CCN1c1ccc(F)c(F)c1.
What is the InChIKey of (5S)-9-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazine-1-carbonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is MWMMHUKGGQXXEJ-OLAOAFLTSA-N. The full InChI is InChI=1S/C19H22F2N4O3/c1-11-10-24(7-8-25(11)12-4-5-14(20)15(21)9-12)16(26)13-3-2-6-19(13)17(27)22-18(28)23-19/h4-5,9,11,13H,2-3,6-8,10H2,1H3,(H2,22,23,27,28)/t11-,13?,19-/m0/s1.
What are the key properties of (5S)-9-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazine-1-carbonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5S)-9-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazine-1-carbonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 392.41 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazine-1-carbonyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 177036769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).