1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one

C22H36N4O — CID 42519327

IUPAC1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one
SMILESCc1nccn1CCC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2)C1
InChIInChI=1S/C22H36N4O/c1-19-23-11-15-25(19)13-8-21(27)26-14-10-22(18-26)9-5-12-24(17-22)16-20-6-3-2-4-7-20/h11,15,20H,2-10,12-14,16-18H2,1H3/t22-/m1/s1
InChIKeyADOKIMZWJVOHOH-JOCHJYFZSA-N
MW372.56 g/mol
LogP3.48
Rot. Bonds5

About 1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one

1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one (PubChem CID 42519327) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one
PubChem CID42519327
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one
SMILESCc1nccn1CCC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2)C1
InChIInChI=1S/C22H36N4O/c1-19-23-11-15-25(19)13-8-21(27)26-14-10-22(18-26)9-5-12-24(17-22)16-20-6-3-2-4-7-20/h11,15,20H,2-10,12-14,16-18H2,1H3/t22-/m1/s1
InChIKeyADOKIMZWJVOHOH-JOCHJYFZSA-N
XLogP3.48
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one (CID 42519327) is 1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one is Cc1nccn1CCC(=O)N1CC[C@@]2(CCCN(CC3CCCCC3)C2)C1.
What is the InChIKey of 1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one?
The InChIKey is ADOKIMZWJVOHOH-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H36N4O/c1-19-23-11-15-25(19)13-8-21(27)26-14-10-22(18-26)9-5-12-24(17-22)16-20-6-3-2-4-7-20/h11,15,20H,2-10,12-14,16-18H2,1H3/t22-/m1/s1.
What are the key properties of 1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one?
1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one has a molecular weight of 372.56 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 42519327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).