2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone

C13H25N3O — CID 112630179

IUPAC2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
SMILESCC(N)C1CCN(CC(=O)N2CCCCC2)C1
InChIInChI=1S/C13H25N3O/c1-11(14)12-5-8-15(9-12)10-13(17)16-6-3-2-4-7-16/h11-12H,2-10,14H2,1H3
InChIKeyOJSSRNKBDSNBCQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.67
Rot. Bonds3

About 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone

2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 112630179) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID112630179
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
SMILESCC(N)C1CCN(CC(=O)N2CCCCC2)C1
InChIInChI=1S/C13H25N3O/c1-11(14)12-5-8-15(9-12)10-13(17)16-6-3-2-4-7-16/h11-12H,2-10,14H2,1H3
InChIKeyOJSSRNKBDSNBCQ-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 63595543
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 103976457
1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone
CID 63594840
2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride
CID 119933833
1-piperidin-1-yl-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]ethanone
CID 63855346
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 94340668
1-(azepan-1-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 78962281
1-(azocan-1-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62917489
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 175826880
2-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63852717
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313
1-[1-(2-chloroprop-2-enyl)pyrrolidin-3-yl]ethanamine
CID 103976469

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone (CID 112630179) is 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone is CC(N)C1CCN(CC(=O)N2CCCCC2)C1.
What is the InChIKey of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is OJSSRNKBDSNBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(14)12-5-8-15(9-12)10-13(17)16-6-3-2-4-7-16/h11-12H,2-10,14H2,1H3.
What are the key properties of 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone?
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 239.36 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 112630179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).