6-[(4-chlorocyclohexyl)methyl]-7,10-dioxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide

C18H29ClN4O3 — CID 153473191

IUPAC6-[(4-chlorocyclohexyl)methyl]-7,10-dioxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)N1CC(=O)N(CC2CCC(Cl)CC2)C2(CCN(C(N)=O)C2)C1=O
InChIInChI=1S/C18H29ClN4O3/c1-12(2)22-10-15(24)23(9-13-3-5-14(19)6-4-13)18(16(22)25)7-8-21(11-18)17(20)26/h12-14H,3-11H2,1-2H3,(H2,20,26)
InChIKeyBOKDAZCJSPQGGD-UHFFFAOYSA-N
MW384.91 g/mol
LogP1.39
Rot. Bonds3

About 6-[(4-chlorocyclohexyl)methyl]-7,10-dioxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide

6-[(4-chlorocyclohexyl)methyl]-7,10-dioxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide (PubChem CID 153473191) has the molecular formula C18H29ClN4O3 and a molecular weight of 384.91 g/mol. Its IUPAC name is 6-[(4-chlorocyclohexyl)methyl]-7,10-dioxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorocyclohexyl)methyl]-7,10-dioxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
PubChem CID153473191
Molecular FormulaC18H29ClN4O3
Molecular Weight384.91 g/mol
Exact Mass384.19
IUPAC Name6-[(4-chlorocyclohexyl)methyl]-7,10-dioxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)N1CC(=O)N(CC2CCC(Cl)CC2)C2(CCN(C(N)=O)C2)C1=O
InChIInChI=1S/C18H29ClN4O3/c1-12(2)22-10-15(24)23(9-13-3-5-14(19)6-4-13)18(16(22)25)7-8-21(11-18)17(20)26/h12-14H,3-11H2,1-2H3,(H2,20,26)
InChIKeyBOKDAZCJSPQGGD-UHFFFAOYSA-N
XLogP1.39
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(4-chlorocyclohexyl)methyl]-2-cyclohexyl-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-3,7,10-trione
CID 153473287
methyl 7,10-dioxo-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-2-carboxylate
CID 146465442
N-ethyl-7,10-dioxo-9-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 146465050
5-[(3-chloro-4-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-ethylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione
CID 167617105
6-[(4-chlorophenyl)methyl]-9-propan-2-yl-2-pyrazin-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione
CID 146465606
6-[(4-chlorophenyl)methyl]-2-(2-oxo-1H-pyridin-4-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione
CID 146465032
6-[(4-chlorophenyl)methyl]-N-methyl-10-oxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 167201518
6-[(4-chlorophenyl)methyl]-2-(2,4-diazaspiro[5.10]hexadecan-5-yl)-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-7,10-dione
CID 146492953
4-amino-1-(cyclopropylmethyl)-8-methyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79985069
(2S)-3-cyclopropyl-2-(6-methyl-1-oxo-2,6-diazaspiro[4.5]decan-2-yl)propanoic acid
CID 162479525
(2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
CID 171080666
3-[[2-(4-chlorocyclohexyl)-3,6-dioxo-4-propan-2-ylpiperazin-1-yl]methyl]cyclohexane-1-carbonitrile
CID 153473247

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorocyclohexyl)methyl]-7,10-dioxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 6-[(4-chlorocyclohexyl)methyl]-7,10-dioxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide (CID 153473191) is 6-[(4-chlorocyclohexyl)methyl]-7,10-dioxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 6-[(4-chlorocyclohexyl)methyl]-7,10-dioxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 6-[(4-chlorocyclohexyl)methyl]-7,10-dioxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide is CC(C)N1CC(=O)N(CC2CCC(Cl)CC2)C2(CCN(C(N)=O)C2)C1=O.
What is the InChIKey of 6-[(4-chlorocyclohexyl)methyl]-7,10-dioxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The InChIKey is BOKDAZCJSPQGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN4O3/c1-12(2)22-10-15(24)23(9-13-3-5-14(19)6-4-13)18(16(22)25)7-8-21(11-18)17(20)26/h12-14H,3-11H2,1-2H3,(H2,20,26).
What are the key properties of 6-[(4-chlorocyclohexyl)methyl]-7,10-dioxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
6-[(4-chlorocyclohexyl)methyl]-7,10-dioxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorocyclohexyl)methyl]-7,10-dioxo-9-propan-2-yl-2,6,9-triazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 153473191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).