3-[2-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione

C16H22N6O3 — CID 70731074

IUPAC3-[2-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCN1CCc2[nH]cnc2C12CCN(C(=O)CN1C(=O)CNC1=O)CC2
InChIInChI=1S/C16H22N6O3/c1-20-5-2-11-14(19-10-18-11)16(20)3-6-21(7-4-16)13(24)9-22-12(23)8-17-15(22)25/h10H,2-9H2,1H3,(H,17,25)(H,18,19)
InChIKeyDMNDTCUWHOWEIE-UHFFFAOYSA-N
MW346.39 g/mol
LogP-0.73
Rot. Bonds2

About 3-[2-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione

3-[2-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 70731074) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-[2-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID70731074
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name3-[2-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCN1CCc2[nH]cnc2C12CCN(C(=O)CN1C(=O)CNC1=O)CC2
InChIInChI=1S/C16H22N6O3/c1-20-5-2-11-14(19-10-18-11)16(20)3-6-21(7-4-16)13(24)9-22-12(23)8-17-15(22)25/h10H,2-9H2,1H3,(H,17,25)(H,18,19)
InChIKeyDMNDTCUWHOWEIE-UHFFFAOYSA-N
XLogP-0.73
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 70731074) is 3-[2-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione is CN1CCc2[nH]cnc2C12CCN(C(=O)CN1C(=O)CNC1=O)CC2.
What is the InChIKey of 3-[2-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is DMNDTCUWHOWEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-20-5-2-11-14(19-10-18-11)16(20)3-6-21(7-4-16)13(24)9-22-12(23)8-17-15(22)25/h10H,2-9H2,1H3,(H,17,25)(H,18,19).
What are the key properties of 3-[2-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 346.39 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70731074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).