8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride

C19H27ClN4O2 — CID 167995797

IUPAC8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCl.O=C1NC2(CCN(Cc3ccccc3)CC2)C(=O)N1C1CCNCC1
InChIInChI=1S/C19H26N4O2.ClH/c24-17-19(21-18(25)23(17)16-6-10-20-11-7-16)8-12-22(13-9-19)14-15-4-2-1-3-5-15;/h1-5,16,20H,6-14H2,(H,21,25);1H
InChIKeyANKLQWQTHNMGDP-UHFFFAOYSA-N
MW378.90 g/mol
LogP1.75
Rot. Bonds3

About 8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride

8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride (PubChem CID 167995797) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
PubChem CID167995797
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCl.O=C1NC2(CCN(Cc3ccccc3)CC2)C(=O)N1C1CCNCC1
InChIInChI=1S/C19H26N4O2.ClH/c24-17-19(21-18(25)23(17)16-6-10-20-11-7-16)8-12-22(13-9-19)14-15-4-2-1-3-5-15;/h1-5,16,20H,6-14H2,(H,21,25);1H
InChIKeyANKLQWQTHNMGDP-UHFFFAOYSA-N
XLogP1.75
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride with MolForge

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Related Compounds

8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084151
8-(2-hydroxyethyl)-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148600
6-piperidin-4-yl-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 82395106
3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110075843
8-benzyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084171
8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084159
3-(1-cyclopentylpiperidin-4-yl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084251
N-[2-[3-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 110084309
3-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084269
8-benzoyl-3-[(3R)-1-benzylpiperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 129360807
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 42065010
3-[1-(2-methylcyclopropanecarbonyl)piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084272

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The IUPAC name of 8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride (CID 167995797) is 8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride.
What is the SMILES notation for 8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The canonical SMILES for 8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride is Cl.O=C1NC2(CCN(Cc3ccccc3)CC2)C(=O)N1C1CCNCC1.
What is the InChIKey of 8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The InChIKey is ANKLQWQTHNMGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.ClH/c24-17-19(21-18(25)23(17)16-6-10-20-11-7-16)8-12-22(13-9-19)14-15-4-2-1-3-5-15;/h1-5,16,20H,6-14H2,(H,21,25);1H.
What are the key properties of 8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride is sourced from PubChem (CID 167995797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).