3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

C24H35N3O2 — CID 55484424

IUPAC3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C1NC2(CCCCCCC2)C(=O)N1CN1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C24H35N3O2/c28-22-24(15-7-2-1-3-8-16-24)25-23(29)27(22)19-26-17-13-21(14-18-26)12-11-20-9-5-4-6-10-20/h4-6,9-10,21H,1-3,7-8,11-19H2,(H,25,29)
InChIKeyWWHGROQPGWQRQC-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.32
Rot. Bonds5

About 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 55484424) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID55484424
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C1NC2(CCCCCCC2)C(=O)N1CN1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C24H35N3O2/c28-22-24(15-7-2-1-3-8-16-24)25-23(29)27(22)19-26-17-13-21(14-18-26)12-11-20-9-5-4-6-10-20/h4-6,9-10,21H,1-3,7-8,11-19H2,(H,25,29)
InChIKeyWWHGROQPGWQRQC-UHFFFAOYSA-N
XLogP4.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperidine-4-carboxamide
CID 2516681
(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium
CID 9460381
3-[(4-ethylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18081564
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 26937799
3-[(4-benzoylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4792556
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 9171228
3-[3-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 55469761
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 35414438
1,4-bis(2-phenylethyl)piperidine
CID 86059939
3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7480002
3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103599854
3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 163355113

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 55484424) is 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is O=C1NC2(CCCCCCC2)C(=O)N1CN1CCC(CCc2ccccc2)CC1.
What is the InChIKey of 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is WWHGROQPGWQRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c28-22-24(15-7-2-1-3-8-16-24)25-23(29)27(22)19-26-17-13-21(14-18-26)12-11-20-9-5-4-6-10-20/h4-6,9-10,21H,1-3,7-8,11-19H2,(H,25,29).
What are the key properties of 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 397.56 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 55484424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).