3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride

C18H25ClN4O3 — CID 119437149

IUPAC3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1cccc(CN2C(=O)CNC2=O)c1.Cl
InChIInChI=1S/C18H24N4O3.ClH/c1-12(19)15-7-2-3-8-21(15)17(24)14-6-4-5-13(9-14)11-22-16(23)10-20-18(22)25;/h4-6,9,12,15H,2-3,7-8,10-11,19H2,1H3,(H,20,25);1H
InChIKeyLXLSJQGXJKNFHW-UHFFFAOYSA-N
MW380.88 g/mol
LogP1.50
Rot. Bonds4

About 3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride

3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride (PubChem CID 119437149) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is 3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride
PubChem CID119437149
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC Name3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1cccc(CN2C(=O)CNC2=O)c1.Cl
InChIInChI=1S/C18H24N4O3.ClH/c1-12(19)15-7-2-3-8-21(15)17(24)14-6-4-5-13(9-14)11-22-16(23)10-20-18(22)25;/h4-6,9,12,15H,2-3,7-8,10-11,19H2,1H3,(H,20,25);1H
InChIKeyLXLSJQGXJKNFHW-UHFFFAOYSA-N
XLogP1.50
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 136542268
[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119437516
5-[2-(1-aminoethyl)piperidine-1-carbonyl]-2-benzylisoindole-1,3-dione
CID 119434913
3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 47019593
[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119437061
[2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119437119
3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 32747160
3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione;hydrochloride
CID 119434403
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119911778
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124689326
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 103805470
3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 124614078

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride (CID 119437149) is 3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride is CC(N)C1CCCCN1C(=O)c1cccc(CN2C(=O)CNC2=O)c1.Cl.
What is the InChIKey of 3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is LXLSJQGXJKNFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.ClH/c1-12(19)15-7-2-3-8-21(15)17(24)14-6-4-5-13(9-14)11-22-16(23)10-20-18(22)25;/h4-6,9,12,15H,2-3,7-8,10-11,19H2,1H3,(H,20,25);1H.
What are the key properties of 3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride?
3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 380.88 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 119437149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).