1-[2-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one

C22H32N4O — CID 10361700

IUPAC1-[2-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)c[nH]c2c1
InChIInChI=1S/C22H32N4O/c1-16(2)26-13-12-25(22(26)27)11-10-24-8-6-18(7-9-24)20-15-23-21-14-17(3)4-5-19(20)21/h4-5,14-16,18,23H,6-13H2,1-3H3
InChIKeyQGVAEWBRFSNZBU-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.80
Rot. Bonds5

About 1-[2-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one

1-[2-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 10361700) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 1-[2-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID10361700
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name1-[2-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)c[nH]c2c1
InChIInChI=1S/C22H32N4O/c1-16(2)26-13-12-25(22(26)27)11-10-24-8-6-18(7-9-24)20-15-23-21-14-17(3)4-5-19(20)21/h4-5,14-16,18,23H,6-13H2,1-3H3
InChIKeyQGVAEWBRFSNZBU-UHFFFAOYSA-N
XLogP3.80
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one (CID 10361700) is 1-[2-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is Cc1ccc2c(C3CCN(CCN4CCN(C(C)C)C4=O)CC3)c[nH]c2c1.
What is the InChIKey of 1-[2-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is QGVAEWBRFSNZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-16(2)26-13-12-25(22(26)27)11-10-24-8-6-18(7-9-24)20-15-23-21-14-17(3)4-5-19(20)21/h4-5,14-16,18,23H,6-13H2,1-3H3.
What are the key properties of 1-[2-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one?
1-[2-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 368.53 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 10361700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).