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

C22H36N4O3 — CID 110084433

IUPAC3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1CCC2(CC1)NC(=O)N(C1CCCN(C(=O)C3CCCC3)C1)C2=O
InChIInChI=1S/C22H36N4O3/c1-16(2)14-24-12-9-22(10-13-24)20(28)26(21(29)23-22)18-8-5-11-25(15-18)19(27)17-6-3-4-7-17/h16-18H,3-15H2,1-2H3,(H,23,29)
InChIKeyMRDIZYMFVKZNPR-UHFFFAOYSA-N
MW404.56 g/mol
LogP2.21
Rot. Bonds4

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

3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110084433) has the molecular formula C22H36N4O3 and a molecular weight of 404.56 g/mol. Its IUPAC name is 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110084433
Molecular FormulaC22H36N4O3
Molecular Weight404.56 g/mol
Exact Mass404.28
IUPAC Name3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1CCC2(CC1)NC(=O)N(C1CCCN(C(=O)C3CCCC3)C1)C2=O
InChIInChI=1S/C22H36N4O3/c1-16(2)14-24-12-9-22(10-13-24)20(28)26(21(29)23-22)18-8-5-11-25(15-18)19(27)17-6-3-4-7-17/h16-18H,3-15H2,1-2H3,(H,23,29)
InChIKeyMRDIZYMFVKZNPR-UHFFFAOYSA-N
XLogP2.21
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(cyclopropanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084415
3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084320
8-(2-methylpropyl)-3-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084428
3-[1-(2-methylpropanoyl)piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084347
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620502
3-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620670
3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620556
8-propyl-3-[1-(pyridine-4-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084359
3-(1-benzoylpiperidin-3-yl)-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110247352
3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110075843
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
8-benzoyl-3-[(3S)-1-[(1R,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 126417098

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110084433) is 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CN1CCC2(CC1)NC(=O)N(C1CCCN(C(=O)C3CCCC3)C1)C2=O.
What is the InChIKey of 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is MRDIZYMFVKZNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O3/c1-16(2)14-24-12-9-22(10-13-24)20(28)26(21(29)23-22)18-8-5-11-25(15-18)19(27)17-6-3-4-7-17/h16-18H,3-15H2,1-2H3,(H,23,29).
What are the key properties of 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 404.56 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110084433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).