1-propan-2-yl-3-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one

C24H39N3O2 — CID 54257224

IUPAC1-propan-2-yl-3-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one
SMILESCC(C)Oc1ccccc1C1CCN(CCCCN2CCN(C(C)C)C2=O)CC1
InChIInChI=1S/C24H39N3O2/c1-19(2)27-18-17-26(24(27)28)14-8-7-13-25-15-11-21(12-16-25)22-9-5-6-10-23(22)29-20(3)4/h5-6,9-10,19-21H,7-8,11-18H2,1-4H3
InChIKeyRAXVVFBRTXQQEZ-UHFFFAOYSA-N
MW401.60 g/mol
LogP4.58
Rot. Bonds9

About 1-propan-2-yl-3-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one

1-propan-2-yl-3-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one (PubChem CID 54257224) has the molecular formula C24H39N3O2 and a molecular weight of 401.60 g/mol. Its IUPAC name is 1-propan-2-yl-3-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one
PubChem CID54257224
Molecular FormulaC24H39N3O2
Molecular Weight401.60 g/mol
Exact Mass401.30
IUPAC Name1-propan-2-yl-3-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one
SMILESCC(C)Oc1ccccc1C1CCN(CCCCN2CCN(C(C)C)C2=O)CC1
InChIInChI=1S/C24H39N3O2/c1-19(2)27-18-17-26(24(27)28)14-8-7-13-25-15-11-21(12-16-25)22-9-5-6-10-23(22)29-20(3)4/h5-6,9-10,19-21H,7-8,11-18H2,1-4H3
InChIKeyRAXVVFBRTXQQEZ-UHFFFAOYSA-N
XLogP4.58
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one?
The IUPAC name of 1-propan-2-yl-3-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one (CID 54257224) is 1-propan-2-yl-3-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one.
What is the SMILES notation for 1-propan-2-yl-3-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one?
The canonical SMILES for 1-propan-2-yl-3-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one is CC(C)Oc1ccccc1C1CCN(CCCCN2CCN(C(C)C)C2=O)CC1.
What is the InChIKey of 1-propan-2-yl-3-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one?
The InChIKey is RAXVVFBRTXQQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O2/c1-19(2)27-18-17-26(24(27)28)14-8-7-13-25-15-11-21(12-16-25)22-9-5-6-10-23(22)29-20(3)4/h5-6,9-10,19-21H,7-8,11-18H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one?
1-propan-2-yl-3-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one has a molecular weight of 401.60 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one is sourced from PubChem (CID 54257224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).