1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone

C17H22N2O2 — CID 61171911

IUPAC1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C17H22N2O2/c1-2-10-21-13-6-5-9-19(12-13)17(20)15-11-18-16-8-4-3-7-14(15)16/h3-4,7-8,11,13,18H,2,5-6,9-10,12H2,1H3
InChIKeyFPAUPOKKOOKYKM-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.20
Rot. Bonds4

About 1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone

1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone (PubChem CID 61171911) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone
PubChem CID61171911
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C17H22N2O2/c1-2-10-21-13-6-5-9-19(12-13)17(20)15-11-18-16-8-4-3-7-14(15)16/h3-4,7-8,11,13,18H,2,5-6,9-10,12H2,1H3
InChIKeyFPAUPOKKOOKYKM-UHFFFAOYSA-N
XLogP3.20
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one
CID 95588730
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
[2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 95179553
ethyl (3S)-1-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 95377022
1-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]pentan-1-one
CID 49206011
5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one
CID 99983565
(4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone
CID 63605636
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
(6-chloro-2-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 62233136
(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107074802

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of 1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone (CID 61171911) is 1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for 1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2c[nH]c3ccccc23)C1.
What is the InChIKey of 1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is FPAUPOKKOOKYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-10-21-13-6-5-9-19(12-13)17(20)15-11-18-16-8-4-3-7-14(15)16/h3-4,7-8,11,13,18H,2,5-6,9-10,12H2,1H3.
What are the key properties of 1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone?
1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 61171911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).