2-[3-(dimethylamino)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone

C17H29N3O — CID 63933889

IUPAC2-[3-(dimethylamino)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCCn1c(C)cc(C(=O)CN2CCCC(N(C)C)C2)c1C
InChIInChI=1S/C17H29N3O/c1-6-20-13(2)10-16(14(20)3)17(21)12-19-9-7-8-15(11-19)18(4)5/h10,15H,6-9,11-12H2,1-5H3
InChIKeyBNJNCOAJKJLBKT-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.33
Rot. Bonds5

About 2-[3-(dimethylamino)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone

2-[3-(dimethylamino)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone (PubChem CID 63933889) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[3-(dimethylamino)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[3-(dimethylamino)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
PubChem CID63933889
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[3-(dimethylamino)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
SMILESCCn1c(C)cc(C(=O)CN2CCCC(N(C)C)C2)c1C
InChIInChI=1S/C17H29N3O/c1-6-20-13(2)10-16(14(20)3)17(21)12-19-9-7-8-15(11-19)18(4)5/h10,15H,6-9,11-12H2,1-5H3
InChIKeyBNJNCOAJKJLBKT-UHFFFAOYSA-N
XLogP2.33
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[3-(dimethylamino)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone (CID 63933889) is 2-[3-(dimethylamino)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[3-(dimethylamino)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[3-(dimethylamino)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone is CCn1c(C)cc(C(=O)CN2CCCC(N(C)C)C2)c1C.
What is the InChIKey of 2-[3-(dimethylamino)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
The InChIKey is BNJNCOAJKJLBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-20-13(2)10-16(14(20)3)17(21)12-19-9-7-8-15(11-19)18(4)5/h10,15H,6-9,11-12H2,1-5H3.
What are the key properties of 2-[3-(dimethylamino)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone?
2-[3-(dimethylamino)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone has a molecular weight of 291.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)piperidin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 63933889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).