1-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione

C18H27N3O4 — CID 124878605

IUPAC1-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1C(=O)CN(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)C1=O
InChIInChI=1S/C18H27N3O4/c1-25-12-11-20-16(22)13-21(18(20)24)15-7-9-19(10-8-15)17(23)14-5-3-2-4-6-14/h2-3,14-15H,4-13H2,1H3/t14-/m1/s1
InChIKeyZUZQNWSFELNFFM-CQSZACIVSA-N
MW349.43 g/mol
LogP1.24
Rot. Bonds5

About 1-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione

1-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione (PubChem CID 124878605) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
PubChem CID124878605
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name1-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1C(=O)CN(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)C1=O
InChIInChI=1S/C18H27N3O4/c1-25-12-11-20-16(22)13-21(18(20)24)15-7-9-19(10-8-15)17(23)14-5-3-2-4-6-14/h2-3,14-15H,4-13H2,1H3/t14-/m1/s1
InChIKeyZUZQNWSFELNFFM-CQSZACIVSA-N
XLogP1.24
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione (CID 124878605) is 1-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione is COCCN1C(=O)CN(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)C1=O.
What is the InChIKey of 1-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The InChIKey is ZUZQNWSFELNFFM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-25-12-11-20-16(22)13-21(18(20)24)15-7-9-19(10-8-15)17(23)14-5-3-2-4-6-14/h2-3,14-15H,4-13H2,1H3/t14-/m1/s1.
What are the key properties of 1-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
1-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione has a molecular weight of 349.43 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 124878605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).