1-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one

C23H33N3O — CID 69486557

IUPAC1-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(CC2CC2)C12CCN([C@@H]1CCCC[C@@H]1c1ccccc1)CC2
InChIInChI=1S/C23H33N3O/c27-22-23(26(17-24-22)16-18-10-11-18)12-14-25(15-13-23)21-9-5-4-8-20(21)19-6-2-1-3-7-19/h1-3,6-7,18,20-21H,4-5,8-17H2,(H,24,27)/t20-,21-/m1/s1
InChIKeyZAIGWTVSWLXMEI-NHCUHLMSSA-N
MW367.54 g/mol
LogP3.35
Rot. Bonds4

About 1-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one

1-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 69486557) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID69486557
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name1-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(CC2CC2)C12CCN([C@@H]1CCCC[C@@H]1c1ccccc1)CC2
InChIInChI=1S/C23H33N3O/c27-22-23(26(17-24-22)16-18-10-11-18)12-14-25(15-13-23)21-9-5-4-8-20(21)19-6-2-1-3-7-19/h1-3,6-7,18,20-21H,4-5,8-17H2,(H,24,27)/t20-,21-/m1/s1
InChIKeyZAIGWTVSWLXMEI-NHCUHLMSSA-N
XLogP3.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one (CID 69486557) is 1-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(CC2CC2)C12CCN([C@@H]1CCCC[C@@H]1c1ccccc1)CC2.
What is the InChIKey of 1-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is ZAIGWTVSWLXMEI-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H33N3O/c27-22-23(26(17-24-22)16-18-10-11-18)12-14-25(15-13-23)21-9-5-4-8-20(21)19-6-2-1-3-7-19/h1-3,6-7,18,20-21H,4-5,8-17H2,(H,24,27)/t20-,21-/m1/s1.
What are the key properties of 1-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one?
1-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 367.54 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 69486557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).