3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione

C18H26N4O3 — CID 56713349

IUPAC3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCNCC2)NC(=O)N(Cc2cc(OC)ccn2)C1=O
InChIInChI=1S/C18H26N4O3/c1-3-7-18(13-4-8-19-9-5-13)16(23)22(17(24)21-18)12-14-11-15(25-2)6-10-20-14/h6,10-11,13,19H,3-5,7-9,12H2,1-2H3,(H,21,24)
InChIKeyMOZCWKSWWWKSMM-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.68
Rot. Bonds6

About 3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione

3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione (PubChem CID 56713349) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
PubChem CID56713349
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCNCC2)NC(=O)N(Cc2cc(OC)ccn2)C1=O
InChIInChI=1S/C18H26N4O3/c1-3-7-18(13-4-8-19-9-5-13)16(23)22(17(24)21-18)12-14-11-15(25-2)6-10-20-14/h6,10-11,13,19H,3-5,7-9,12H2,1-2H3,(H,21,24)
InChIKeyMOZCWKSWWWKSMM-UHFFFAOYSA-N
XLogP1.68
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.68
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-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione (CID 56713349) is 3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione is CCCC1(C2CCNCC2)NC(=O)N(Cc2cc(OC)ccn2)C1=O.
What is the InChIKey of 3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
The InChIKey is MOZCWKSWWWKSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-3-7-18(13-4-8-19-9-5-13)16(23)22(17(24)21-18)12-14-11-15(25-2)6-10-20-14/h6,10-11,13,19H,3-5,7-9,12H2,1-2H3,(H,21,24).
What are the key properties of 3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione?
3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione has a molecular weight of 346.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-2-pyridinyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 56713349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).