2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone

C14H23N3O — CID 66403516

IUPAC2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone
SMILESCCNCc1cccn1CC(=O)N1CCCCC1
InChIInChI=1S/C14H23N3O/c1-2-15-11-13-7-6-10-17(13)12-14(18)16-8-4-3-5-9-16/h6-7,10,15H,2-5,8-9,11-12H2,1H3
InChIKeyYTTPXMXYEIJHSX-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.61
Rot. Bonds5

About 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone

2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 66403516) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone
PubChem CID66403516
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone
SMILESCCNCc1cccn1CC(=O)N1CCCCC1
InChIInChI=1S/C14H23N3O/c1-2-15-11-13-7-6-10-17(13)12-14(18)16-8-4-3-5-9-16/h6-7,10,15H,2-5,8-9,11-12H2,1H3
InChIKeyYTTPXMXYEIJHSX-UHFFFAOYSA-N
XLogP1.61
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 66401569
1-(azepan-1-yl)-2-[2-[(propan-2-ylamino)methyl]pyrrol-1-yl]ethanone
CID 66403739
2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-1-piperidin-1-ylethanone
CID 66402034
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402341
N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66401169
N-[[1-(3-pyrrolidin-1-ylpropyl)pyrrol-2-yl]methyl]ethanamine
CID 66403308
ethyl 1-[2-(azepan-1-yl)-2-oxoethyl]pyrrole-2-carboxylate
CID 102604458
2-[6-(ethylaminomethyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 102916734
3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one
CID 114760810
2-[2-(ethylaminomethyl)pyrrol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 66402539
N-(4-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402546
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 114015196

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone (CID 66403516) is 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone is CCNCc1cccn1CC(=O)N1CCCCC1.
What is the InChIKey of 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is YTTPXMXYEIJHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-15-11-13-7-6-10-17(13)12-14(18)16-8-4-3-5-9-16/h6-7,10,15H,2-5,8-9,11-12H2,1H3.
What are the key properties of 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone?
2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 249.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)pyrrol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 66403516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).