[4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone

C21H29N3O2 — CID 56712439

IUPAC[4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1cccc2c(CCNC3CCN(C(=O)C4CCCO4)CC3)c[nH]c12
InChIInChI=1S/C21H29N3O2/c1-15-4-2-5-18-16(14-23-20(15)18)7-10-22-17-8-11-24(12-9-17)21(25)19-6-3-13-26-19/h2,4-5,14,17,19,22-23H,3,6-13H2,1H3
InChIKeyFBUYNZXAGBVBNM-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.78
Rot. Bonds5

About [4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone

[4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 56712439) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is [4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID56712439
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name[4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1cccc2c(CCNC3CCN(C(=O)C4CCCO4)CC3)c[nH]c12
InChIInChI=1S/C21H29N3O2/c1-15-4-2-5-18-16(14-23-20(15)18)7-10-22-17-8-11-24(12-9-17)21(25)19-6-3-13-26-19/h2,4-5,14,17,19,22-23H,3,6-13H2,1H3
InChIKeyFBUYNZXAGBVBNM-UHFFFAOYSA-N
XLogP2.78
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone with MolForge

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Related Compounds

2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110849461
3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819733
1-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122003471
2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111780766
[4-[3-[(5-methyl-2-pyridinyl)amino]propylamino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 131898169
N'-methyl-N-(2-naphthalen-1-ylethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301891
N-[2-(7-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119322310
[(2R)-oxolan-2-yl]-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)piperidin-1-yl]methanone
CID 95207897
N-(2,6-dimethylphenyl)-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbothioamide
CID 27057320
2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819750
5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid
CID 167925600
N'-methyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109444138

Frequently Asked Questions

What is the IUPAC name of [4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone (CID 56712439) is [4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone is Cc1cccc2c(CCNC3CCN(C(=O)C4CCCO4)CC3)c[nH]c12.
What is the InChIKey of [4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is FBUYNZXAGBVBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15-4-2-5-18-16(14-23-20(15)18)7-10-22-17-8-11-24(12-9-17)21(25)19-6-3-13-26-19/h2,4-5,14,17,19,22-23H,3,6-13H2,1H3.
What are the key properties of [4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 355.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(7-methyl-1H-indol-3-yl)ethylamino]piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 56712439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).