1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride

C14H26ClN3O2 — CID 119434405

IUPAC1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCCC1C(=O)N1CCCCC1C(C)N.Cl
InChIInChI=1S/C14H25N3O2.ClH/c1-10(15)12-6-3-4-8-17(12)14(19)13-7-5-9-16(13)11(2)18;/h10,12-13H,3-9,15H2,1-2H3;1H
InChIKeyLYHMFBNGZOUKLB-UHFFFAOYSA-N
MW303.83 g/mol
LogP1.15
Rot. Bonds2

About 1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride

1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride (PubChem CID 119434405) has the molecular formula C14H26ClN3O2 and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
PubChem CID119434405
Molecular FormulaC14H26ClN3O2
Molecular Weight303.83 g/mol
Exact Mass303.17
IUPAC Name1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCCC1C(=O)N1CCCCC1C(C)N.Cl
InChIInChI=1S/C14H25N3O2.ClH/c1-10(15)12-6-3-4-8-17(12)14(19)13-7-5-9-16(13)11(2)18;/h10,12-13H,3-9,15H2,1-2H3;1H
InChIKeyLYHMFBNGZOUKLB-UHFFFAOYSA-N
XLogP1.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 119434406
[2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119436103
[2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride
CID 119436126
N-[(2R)-1-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 124569304
N-[(2R)-1-[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 124569307
[2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79161243
1-[2-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119435731
[(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone
CID 129414979
(2S)-1-[(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 101411336
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
[2-(1-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330680
1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119435128

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride (CID 119434405) is 1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride is CC(=O)N1CCCC1C(=O)N1CCCCC1C(C)N.Cl.
What is the InChIKey of 1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride?
The InChIKey is LYHMFBNGZOUKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2.ClH/c1-10(15)12-6-3-4-8-17(12)14(19)13-7-5-9-16(13)11(2)18;/h10,12-13H,3-9,15H2,1-2H3;1H.
What are the key properties of 1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride?
1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119434405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).