2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C26H39N5O4 — CID 55478145

IUPAC2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC1)C2=O
InChIInChI=1S/C26H39N5O4/c1-17-2-4-26(5-3-17)23(34)31(24(35)27-26)28-21(32)16-29-6-8-30(9-7-29)22(33)25-13-18-10-19(14-25)12-20(11-18)15-25/h17-20H,2-16H2,1H3,(H,27,35)(H,28,32)
InChIKeyHJKUEZQROQHYOC-UHFFFAOYSA-N
MW485.63 g/mol
LogP1.88
Rot. Bonds4

About 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 55478145) has the molecular formula C26H39N5O4 and a molecular weight of 485.63 g/mol. Its IUPAC name is 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID55478145
Molecular FormulaC26H39N5O4
Molecular Weight485.63 g/mol
Exact Mass485.30
IUPAC Name2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC1)C2=O
InChIInChI=1S/C26H39N5O4/c1-17-2-4-26(5-3-17)23(34)31(24(35)27-26)28-21(32)16-29-6-8-30(9-7-29)22(33)25-13-18-10-19(14-25)12-20(11-18)15-25/h17-20H,2-16H2,1H3,(H,27,35)(H,28,32)
InChIKeyHJKUEZQROQHYOC-UHFFFAOYSA-N
XLogP1.88
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 55478145) is 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC1)C2=O.
What is the InChIKey of 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is HJKUEZQROQHYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O4/c1-17-2-4-26(5-3-17)23(34)31(24(35)27-26)28-21(32)16-29-6-8-30(9-7-29)22(33)25-13-18-10-19(14-25)12-20(11-18)15-25/h17-20H,2-16H2,1H3,(H,27,35)(H,28,32).
What are the key properties of 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 485.63 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 55478145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).