CID 135021308

C15H21N2O — CID 135021308

IUPAC—
SMILESCN1C(=O)[C@@H](Cc2ccccc2)[N][C@H]1C(C)(C)C
InChIInChI=1S/C15H21N2O/c1-15(2,3)14-16-12(13(18)17(14)4)10-11-8-6-5-7-9-11/h5-9,12,14H,10H2,1-4H3/t12-,14-/m1/s1
InChIKeyRKCGMBYVFWJQPE-TZMCWYRMSA-N
MW245.35 g/mol
LogP2.05
Rot. Bonds2

About CID 135021308

CID 135021308 (PubChem CID 135021308) has the molecular formula C15H21N2O and a molecular weight of 245.35 g/mol.

Molecular Properties

Compound NameCID 135021308
PubChem CID135021308
Molecular FormulaC15H21N2O
Molecular Weight245.35 g/mol
Exact Mass245.17
IUPAC Name—
SMILESCN1C(=O)[C@@H](Cc2ccccc2)[N][C@H]1C(C)(C)C
InChIInChI=1S/C15H21N2O/c1-15(2,3)14-16-12(13(18)17(14)4)10-11-8-6-5-7-9-11/h5-9,12,14H,10H2,1-4H3/t12-,14-/m1/s1
InChIKeyRKCGMBYVFWJQPE-TZMCWYRMSA-N
XLogP2.05
TPSA34.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1,4-diacetyl-3,6-dibenzylpiperazine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of CID 135021308?
The IUPAC name of CID 135021308 (CID 135021308) is not available.
What is the SMILES notation for CID 135021308?
The canonical SMILES for CID 135021308 is CN1C(=O)[C@@H](Cc2ccccc2)[N][C@H]1C(C)(C)C.
What is the InChIKey of CID 135021308?
The InChIKey is RKCGMBYVFWJQPE-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H21N2O/c1-15(2,3)14-16-12(13(18)17(14)4)10-11-8-6-5-7-9-11/h5-9,12,14H,10H2,1-4H3/t12-,14-/m1/s1.
What are the key properties of CID 135021308?
CID 135021308 has a molecular weight of 245.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135021308 is sourced from PubChem (CID 135021308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).