3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C24H34N4O4 — CID 110085132

IUPAC3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(C(=O)N2CCC(N3C(=O)NC4(CCN(CC(C)C)CC4)C3=O)CC2)c1
InChIInChI=1S/C24H34N4O4/c1-17(2)16-26-13-9-24(10-14-26)22(30)28(23(31)25-24)19-7-11-27(12-8-19)21(29)18-5-4-6-20(15-18)32-3/h4-6,15,17,19H,7-14,16H2,1-3H3,(H,25,31)
InChIKeyPKPNUFWGGVOFJB-UHFFFAOYSA-N
MW442.56 g/mol
LogP2.34
Rot. Bonds5

About 3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110085132) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110085132
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(C(=O)N2CCC(N3C(=O)NC4(CCN(CC(C)C)CC4)C3=O)CC2)c1
InChIInChI=1S/C24H34N4O4/c1-17(2)16-26-13-9-24(10-14-26)22(30)28(23(31)25-24)19-7-11-27(12-8-19)21(29)18-5-4-6-20(15-18)32-3/h4-6,15,17,19H,7-14,16H2,1-3H3,(H,25,31)
InChIKeyPKPNUFWGGVOFJB-UHFFFAOYSA-N
XLogP2.34
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084314
3-[1-(3-fluorobenzoyl)piperidin-4-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084230
8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084280
8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27421170
8-benzoyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620524
[4-(1-chloroethyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 106838977
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 134794616
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808
3-[1-(cyclopropanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084415
(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82244663
8-methyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084134

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110085132) is 3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1cccc(C(=O)N2CCC(N3C(=O)NC4(CCN(CC(C)C)CC4)C3=O)CC2)c1.
What is the InChIKey of 3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PKPNUFWGGVOFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-17(2)16-26-13-9-24(10-14-26)22(30)28(23(31)25-24)19-7-11-27(12-8-19)21(29)18-5-4-6-20(15-18)32-3/h4-6,15,17,19H,7-14,16H2,1-3H3,(H,25,31).
What are the key properties of 3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 442.56 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110085132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).