[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone

C17H23N3O — CID 80550607

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
SMILESCCNCC1CCN(C(=O)c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C17H23N3O/c1-2-18-12-13-7-10-20(11-8-13)17(21)15-4-3-5-16-14(15)6-9-19-16/h3-6,9,13,18-19H,2,7-8,10-12H2,1H3
InChIKeyLVQHNQYOQGWXCR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.63
Rot. Bonds4

About [4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone

[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone (PubChem CID 80550607) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
PubChem CID80550607
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
SMILESCCNCC1CCN(C(=O)c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C17H23N3O/c1-2-18-12-13-7-10-20(11-8-13)17(21)15-4-3-5-16-14(15)6-9-19-16/h3-6,9,13,18-19H,2,7-8,10-12H2,1H3
InChIKeyLVQHNQYOQGWXCR-UHFFFAOYSA-N
XLogP2.63
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone (CID 80550607) is [4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone is CCNCC1CCN(C(=O)c2cccc3[nH]ccc23)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone?
The InChIKey is LVQHNQYOQGWXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-18-12-13-7-10-20(11-8-13)17(21)15-4-3-5-16-14(15)6-9-19-16/h3-6,9,13,18-19H,2,7-8,10-12H2,1H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone has a molecular weight of 285.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone is sourced from PubChem (CID 80550607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).