[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone

C19H23N3O2 — CID 90511658

IUPAC[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)CC1
InChIInChI=1S/C19H23N3O2/c1-13-6-8-21(9-7-13)18(23)14-11-22(12-14)19(24)16-10-20-17-5-3-2-4-15(16)17/h2-5,10,13-14,20H,6-9,11-12H2,1H3
InChIKeyOHWWJQWOVPUAAR-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.50
Rot. Bonds2

About [1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone

[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 90511658) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID90511658
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)CC1
InChIInChI=1S/C19H23N3O2/c1-13-6-8-21(9-7-13)18(23)14-11-22(12-14)19(24)16-10-20-17-5-3-2-4-15(16)17/h2-5,10,13-14,20H,6-9,11-12H2,1H3
InChIKeyOHWWJQWOVPUAAR-UHFFFAOYSA-N
XLogP2.50
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
CID 90511665
1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 90511875
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
ethyl (3S)-1-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 95377022
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 90511889
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 90511890
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 7117259
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1H-indol-3-yl)methanone
CID 66210625
(4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone
CID 63605636

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 90511658) is [1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)CC1.
What is the InChIKey of [1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is OHWWJQWOVPUAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-6-8-21(9-7-13)18(23)14-11-22(12-14)19(24)16-10-20-17-5-3-2-4-15(16)17/h2-5,10,13-14,20H,6-9,11-12H2,1H3.
What are the key properties of [1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 325.41 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 90511658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).