1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one

C14H18ClN3O — CID 118115135

IUPAC1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one
SMILESO=C1N(c2cccc(Cl)c2)CCN1[C@@H]1CCCNC1
InChIInChI=1S/C14H18ClN3O/c15-11-3-1-4-12(9-11)17-7-8-18(14(17)19)13-5-2-6-16-10-13/h1,3-4,9,13,16H,2,5-8,10H2/t13-/m1/s1
InChIKeyGNTCRSXRBLOJFY-CYBMUJFWSA-N
MW279.77 g/mol
LogP2.33
Rot. Bonds2

About 1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one

1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one (PubChem CID 118115135) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one
PubChem CID118115135
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one
SMILESO=C1N(c2cccc(Cl)c2)CCN1[C@@H]1CCCNC1
InChIInChI=1S/C14H18ClN3O/c15-11-3-1-4-12(9-11)17-7-8-18(14(17)19)13-5-2-6-16-10-13/h1,3-4,9,13,16H,2,5-8,10H2/t13-/m1/s1
InChIKeyGNTCRSXRBLOJFY-CYBMUJFWSA-N
XLogP2.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one (CID 118115135) is 1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one is O=C1N(c2cccc(Cl)c2)CCN1[C@@H]1CCCNC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one?
The InChIKey is GNTCRSXRBLOJFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-11-3-1-4-12(9-11)17-7-8-18(14(17)19)13-5-2-6-16-10-13/h1,3-4,9,13,16H,2,5-8,10H2/t13-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one?
1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one has a molecular weight of 279.77 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 118115135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).