1-[(3R)-3-phenylpiperidin-4-yl]imidazolidin-2-one

C14H19N3O — CID 69109034

IUPAC1-[(3R)-3-phenylpiperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCNC[C@H]1c1ccccc1
InChIInChI=1S/C14H19N3O/c18-14-16-8-9-17(14)13-6-7-15-10-12(13)11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2,(H,16,18)/t12-,13?/m0/s1
InChIKeyCQUARKMHGTZCRK-UEWDXFNNSA-N
MW245.33 g/mol
LogP1.16
Rot. Bonds2

About 1-[(3R)-3-phenylpiperidin-4-yl]imidazolidin-2-one

1-[(3R)-3-phenylpiperidin-4-yl]imidazolidin-2-one (PubChem CID 69109034) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[(3R)-3-phenylpiperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3R)-3-phenylpiperidin-4-yl]imidazolidin-2-one
PubChem CID69109034
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[(3R)-3-phenylpiperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCNC[C@H]1c1ccccc1
InChIInChI=1S/C14H19N3O/c18-14-16-8-9-17(14)13-6-7-15-10-12(13)11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2,(H,16,18)/t12-,13?/m0/s1
InChIKeyCQUARKMHGTZCRK-UEWDXFNNSA-N
XLogP1.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-phenylpiperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3R)-3-phenylpiperidin-4-yl]imidazolidin-2-one (CID 69109034) is 1-[(3R)-3-phenylpiperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3R)-3-phenylpiperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3R)-3-phenylpiperidin-4-yl]imidazolidin-2-one is O=C1NCCN1C1CCNC[C@H]1c1ccccc1.
What is the InChIKey of 1-[(3R)-3-phenylpiperidin-4-yl]imidazolidin-2-one?
The InChIKey is CQUARKMHGTZCRK-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14-16-8-9-17(14)13-6-7-15-10-12(13)11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2,(H,16,18)/t12-,13?/m0/s1.
What are the key properties of 1-[(3R)-3-phenylpiperidin-4-yl]imidazolidin-2-one?
1-[(3R)-3-phenylpiperidin-4-yl]imidazolidin-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-phenylpiperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 69109034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).