1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C12H20N4O3 — CID 124692827

IUPAC1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@H](N)[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O
InChIInChI=1S/C12H20N4O3/c1-8(13)9-4-2-3-5-16(9)11(18)7-15-6-10(17)14-12(15)19/h8-9H,2-7,13H2,1H3,(H,14,17,19)/t8-,9+/m0/s1
InChIKeyBFFARUWMUZCFAW-DTWKUNHWSA-N
MW268.32 g/mol
LogP-0.73
Rot. Bonds3

About 1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 124692827) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID124692827
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@H](N)[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O
InChIInChI=1S/C12H20N4O3/c1-8(13)9-4-2-3-5-16(9)11(18)7-15-6-10(17)14-12(15)19/h8-9H,2-7,13H2,1H3,(H,14,17,19)/t8-,9+/m0/s1
InChIKeyBFFARUWMUZCFAW-DTWKUNHWSA-N
XLogP-0.73
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.73
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

1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
CID 119435273
1-[2-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 124688615
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 119435279
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 119434841
1-[2-(1-aminoethyl)piperidin-1-yl]but-3-en-1-one
CID 63254842
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119434910
1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-bromopyrimidine-2,4-dione
CID 119435455
1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione
CID 119437679
1-[2-(1-aminoethyl)piperidin-1-yl]pentan-1-one
CID 63255456
1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 114875604
1-[2-(1-aminoethyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 63255447
3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 119435446

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 124692827) is 1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is C[C@H](N)[C@H]1CCCCN1C(=O)CN1CC(=O)NC1=O.
What is the InChIKey of 1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is BFFARUWMUZCFAW-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(13)9-4-2-3-5-16(9)11(18)7-15-6-10(17)14-12(15)19/h8-9H,2-7,13H2,1H3,(H,14,17,19)/t8-,9+/m0/s1.
What are the key properties of 1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 268.32 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124692827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).