(5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione

C18H24N4O3 — CID 124690838

IUPAC(5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@H](N)[C@H]1CCCN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1
InChIInChI=1S/C18H24N4O3/c1-11(19)13-4-3-9-22(10-13)15(23)12-5-7-14(8-6-12)18(2)16(24)20-17(25)21-18/h5-8,11,13H,3-4,9-10,19H2,1-2H3,(H2,20,21,24,25)/t11-,13-,18+/m0/s1
InChIKeyHPRDSORIHWMULK-RRUGBERISA-N
MW344.42 g/mol
LogP0.94
Rot. Bonds3

About (5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione

(5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 124690838) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID124690838
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@H](N)[C@H]1CCCN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1
InChIInChI=1S/C18H24N4O3/c1-11(19)13-4-3-9-22(10-13)15(23)12-5-7-14(8-6-12)18(2)16(24)20-17(25)21-18/h5-8,11,13H,3-4,9-10,19H2,1-2H3,(H2,20,21,24,25)/t11-,13-,18+/m0/s1
InChIKeyHPRDSORIHWMULK-RRUGBERISA-N
XLogP0.94
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione (CID 124690838) is (5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione is C[C@H](N)[C@H]1CCCN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1.
What is the InChIKey of (5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is HPRDSORIHWMULK-RRUGBERISA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11(19)13-4-3-9-22(10-13)15(23)12-5-7-14(8-6-12)18(2)16(24)20-17(25)21-18/h5-8,11,13H,3-4,9-10,19H2,1-2H3,(H2,20,21,24,25)/t11-,13-,18+/m0/s1.
What are the key properties of (5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 344.42 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 124690838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).