(5S,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C20H29N5O2 — CID 30614782

IUPAC(5S,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CCCC[C@]12NC(=O)N(CN1CCN(Cc3ccncc3)CC1)C2=O
InChIInChI=1S/C20H29N5O2/c1-16-4-2-3-7-20(16)18(26)25(19(27)22-20)15-24-12-10-23(11-13-24)14-17-5-8-21-9-6-17/h5-6,8-9,16H,2-4,7,10-15H2,1H3,(H,22,27)/t16-,20-/m0/s1
InChIKeyRACLPXXKTVVWAJ-JXFKEZNVSA-N
MW371.49 g/mol
LogP1.66
Rot. Bonds4

About (5S,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

(5S,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 30614782) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is (5S,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID30614782
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name(5S,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CCCC[C@]12NC(=O)N(CN1CCN(Cc3ccncc3)CC1)C2=O
InChIInChI=1S/C20H29N5O2/c1-16-4-2-3-7-20(16)18(26)25(19(27)22-20)15-24-12-10-23(11-13-24)14-17-5-8-21-9-6-17/h5-6,8-9,16H,2-4,7,10-15H2,1H3,(H,22,27)/t16-,20-/m0/s1
InChIKeyRACLPXXKTVVWAJ-JXFKEZNVSA-N
XLogP1.66
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-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,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 30614782) is (5S,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@H]1CCCC[C@]12NC(=O)N(CN1CCN(Cc3ccncc3)CC1)C2=O.
What is the InChIKey of (5S,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is RACLPXXKTVVWAJ-JXFKEZNVSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-16-4-2-3-7-20(16)18(26)25(19(27)22-20)15-24-12-10-23(11-13-24)14-17-5-8-21-9-6-17/h5-6,8-9,16H,2-4,7,10-15H2,1H3,(H,22,27)/t16-,20-/m0/s1.
What are the key properties of (5S,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
(5S,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 371.49 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 30614782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).