1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one

C19H25N3O2 — CID 126951691

IUPAC1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCN1CCC(Oc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H25N3O2/c23-19-5-2-10-22(19)14-13-21-11-7-15(8-12-21)24-18-4-1-3-17-16(18)6-9-20-17/h1,3-4,6,9,15,20H,2,5,7-8,10-14H2
InChIKeyOLVSJNVUHYXCFF-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.63
Rot. Bonds5

About 1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one

1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 126951691) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID126951691
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCN1CCC(Oc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H25N3O2/c23-19-5-2-10-22(19)14-13-21-11-7-15(8-12-21)24-18-4-1-3-17-16(18)6-9-20-17/h1,3-4,6,9,15,20H,2,5,7-8,10-14H2
InChIKeyOLVSJNVUHYXCFF-UHFFFAOYSA-N
XLogP2.63
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4828
(-)-Pindolol
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4-(phenylmethoxy)-1H-indole
CID 88465
N-Acetyl-5-benzyloxytryptamine
CID 563605
O-Acetylpsilocin
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2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((3-methyl-1H-indol-4-yl)oxy)-, monohydrochloride
CID 3072986
1H-Indole-3-ethanamine, 4-methoxy-
CID 19219
GR 128107
CID 44208891
Benzyl-[2-(1H-indol-4-yloxy)-ethyl]-amine
CID 9838216

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one (CID 126951691) is 1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCN1CCC(Oc2cccc3[nH]ccc23)CC1.
What is the InChIKey of 1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is OLVSJNVUHYXCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-19-5-2-10-22(19)14-13-21-11-7-15(8-12-21)24-18-4-1-3-17-16(18)6-9-20-17/h1,3-4,6,9,15,20H,2,5,7-8,10-14H2.
What are the key properties of 1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 327.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 126951691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).