3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one

C26H30N4O3 — CID 91904306

IUPAC3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCC(Oc2ncccc2C(=O)N2CCCCC2)C1
InChIInChI=1S/C26H30N4O3/c31-24(11-10-19-17-28-23-9-3-2-7-21(19)23)30-16-12-20(18-30)33-25-22(8-6-13-27-25)26(32)29-14-4-1-5-15-29/h2-3,6-9,13,17,20,28H,1,4-5,10-12,14-16,18H2
InChIKeyBTKJSVYDMHFQCA-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.80
Rot. Bonds6

About 3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one

3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one (PubChem CID 91904306) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one
PubChem CID91904306
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCC(Oc2ncccc2C(=O)N2CCCCC2)C1
InChIInChI=1S/C26H30N4O3/c31-24(11-10-19-17-28-23-9-3-2-7-21(19)23)30-16-12-20(18-30)33-25-22(8-6-13-27-25)26(32)29-14-4-1-5-15-29/h2-3,6-9,13,17,20,28H,1,4-5,10-12,14-16,18H2
InChIKeyBTKJSVYDMHFQCA-UHFFFAOYSA-N
XLogP3.80
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 91914043
(4-ethoxyphenyl)-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91913913
3-(1H-indol-3-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 64598046
4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103536932
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 42534114
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913891
(3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 99739432
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 55751738
1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(1H-indol-3-yl)propan-1-one
CID 94061393
3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 41037215

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one (CID 91904306) is 3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one is O=C(CCc1c[nH]c2ccccc12)N1CCC(Oc2ncccc2C(=O)N2CCCCC2)C1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one?
The InChIKey is BTKJSVYDMHFQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c31-24(11-10-19-17-28-23-9-3-2-7-21(19)23)30-16-12-20(18-30)33-25-22(8-6-13-27-25)26(32)29-14-4-1-5-15-29/h2-3,6-9,13,17,20,28H,1,4-5,10-12,14-16,18H2.
What are the key properties of 3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one?
3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one has a molecular weight of 446.55 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 91904306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).